2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

C188H220N36O4S16 — CID 157142682

IUPAC2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESCCOCCN1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.CCOCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN
InChIInChI=1S/4C24H28N4OS2.4C23H27N5S2/c4*1-3-29-12-11-28-10-4-5-18(16(28)2)23-14-19-20(8-9-25-24(19)31-23)27-17-6-7-22-21(13-17)26-15-30-22;4*1-15-17(4-2-10-28(15)11-3-8-24)22-13-18-19(7-9-25-23(18)30-22)27-16-5-6-21-20(12-16)26-14-29-21/h4*6-9,13-16,18H,3-5,10-12H2,1-2H3,(H,25,27);4*5-7,9,12-15,17H,2-4,8,10-11,24H2,1H3,(H,25,27)/t2*16-,18+;16-,18-;;2*15-,17+;2*15-,17-/m101.1010/s1
InChIKeyAKJCMTYURIQQAV-NTUIQPPJSA-N
MW3561.15 g/mol
LogP47.28
Rot. Bonds52

About 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine

2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 157142682) has the molecular formula C188H220N36O4S16 and a molecular weight of 3561.15 g/mol. Its IUPAC name is 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
PubChem CID157142682
Molecular FormulaC188H220N36O4S16
Molecular Weight3561.15 g/mol
Exact Mass3557.36
IUPAC Name2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
SMILESCCOCCN1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.CCOCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN
InChIInChI=1S/4C24H28N4OS2.4C23H27N5S2/c4*1-3-29-12-11-28-10-4-5-18(16(28)2)23-14-19-20(8-9-25-24(19)31-23)27-17-6-7-22-21(13-17)26-15-30-22;4*1-15-17(4-2-10-28(15)11-3-8-24)22-13-18-19(7-9-25-23(18)30-22)27-16-5-6-21-20(12-16)26-14-29-21/h4*6-9,13-16,18H,3-5,10-12H2,1-2H3,(H,25,27);4*5-7,9,12-15,17H,2-4,8,10-11,24H2,1H3,(H,25,27)/t2*16-,18+;16-,18-;;2*15-,17+;2*15-,17-/m101.1010/s1
InChIKeyAKJCMTYURIQQAV-NTUIQPPJSA-N
XLogP47.28
TPSA469.40 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds52
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003561.15
LogP ≤ 547.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine (CID 157142682) is 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is CCOCCN1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@H]1C.CCOCCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.CCOCCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@H]1C.C[C@@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.C[C@H]1[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCCN1CCCN.
What is the InChIKey of 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
The InChIKey is AKJCMTYURIQQAV-NTUIQPPJSA-N. The full InChI is InChI=1S/4C24H28N4OS2.4C23H27N5S2/c4*1-3-29-12-11-28-10-4-5-18(16(28)2)23-14-19-20(8-9-25-24(19)31-23)27-17-6-7-22-21(13-17)26-15-30-22;4*1-15-17(4-2-10-28(15)11-3-8-24)22-13-18-19(7-9-25-23(18)30-22)27-16-5-6-21-20(12-16)26-14-29-21/h4*6-9,13-16,18H,3-5,10-12H2,1-2H3,(H,25,27);4*5-7,9,12-15,17H,2-4,8,10-11,24H2,1H3,(H,25,27)/t2*16-,18+;16-,18-;;2*15-,17+;2*15-,17-/m101.1010/s1.
What are the key properties of 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine?
2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 3561.15 g/mol, XLogP of 47.28, 52 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3R)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2S,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;2-[(2R,3S)-1-(3-aminopropyl)-2-methylpiperidin-3-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-ethoxyethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157142682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).