N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine

C23H28N4OS2 — CID 148608955

IUPACN-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine
SMILESCOCCN1CCC[C@@H](C2Cc3c(Nc4ccc5scnc5c4)ccnc3S2)[C@H]1C
InChIInChI=1S/C23H28N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h5-8,12,14-15,17,22H,3-4,9-11,13H2,1-2H3,(H,24,26)/t15-,17-,22?/m1/s1
InChIKeyNDZGGUZHGYLWBU-LLJCMLPDSA-N
MW440.64 g/mol
LogP5.20
Rot. Bonds6

About N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine

N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 148608955) has the molecular formula C23H28N4OS2 and a molecular weight of 440.64 g/mol. Its IUPAC name is N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID148608955
Molecular FormulaC23H28N4OS2
Molecular Weight440.64 g/mol
Exact Mass440.17
IUPAC NameN-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine
SMILESCOCCN1CCC[C@@H](C2Cc3c(Nc4ccc5scnc5c4)ccnc3S2)[C@H]1C
InChIInChI=1S/C23H28N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h5-8,12,14-15,17,22H,3-4,9-11,13H2,1-2H3,(H,24,26)/t15-,17-,22?/m1/s1
InChIKeyNDZGGUZHGYLWBU-LLJCMLPDSA-N
XLogP5.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine with MolForge

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Related Compounds

N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1,2-dimethylpiperidin-3-yl]-5-fluoro-2,3-dihydrothieno[2,3-b]pyridin-4-amine
CID 154952873
N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1-(2-fluoroethyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 147157096
N-(1,3-benzothiazol-5-yl)-2-(2-methyl-1-pentylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 158060573
2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2-methylpiperidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-[2-methyl-1-[2-(oxan-2-yloxy)ethyl]piperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 157138215
N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1-(2-fluoropropyl)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149006841
N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-propylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 154942255
N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3R)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R,3S)-1,2-diethylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2S)-2-methyl-2,5-dihydro-1H-pyrrol-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(2R)-2-methyl-2,5-dihydro-1H-pyrrol-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(2-methyl-2,5-dihydro-1H-pyrrol-3-yl)thieno[2,3-b]pyridin-4-amine
CID 162153732
N-(1,3-benzothiazol-5-yl)-2-(6-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)thieno[2,3-b]pyridin-4-amine
CID 154953282
2-[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,3-benzothiazol-5-yl)thieno[2,3-b]pyridin-4-amine
CID 148502274
N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-2-methylpiperidin-3-yl]thieno[2,3-b]pyridin-4-amine
CID 151912469
N-(1,3-benzothiazol-5-yl)-2-[(2S,3R)-2-methylazepan-3-yl]thieno[2,3-b]pyridin-4-amine
CID 149203346
N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine
CID 149249921

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine (CID 148608955) is N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine is COCCN1CCC[C@@H](C2Cc3c(Nc4ccc5scnc5c4)ccnc3S2)[C@H]1C.
What is the InChIKey of N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is NDZGGUZHGYLWBU-LLJCMLPDSA-N. The full InChI is InChI=1S/C23H28N4OS2/c1-15-17(4-3-9-27(15)10-11-28-2)22-13-18-19(7-8-24-23(18)30-22)26-16-5-6-21-20(12-16)25-14-29-21/h5-8,12,14-15,17,22H,3-4,9-11,13H2,1-2H3,(H,24,26)/t15-,17-,22?/m1/s1.
What are the key properties of N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine?
N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 440.64 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3R)-1-(2-methoxyethyl)-2-methylpiperidin-3-yl]-2,3-dihydrothieno[2,3-b]pyridin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 148608955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).