N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine

C160H162N28O7S14 — CID 159918038

IUPACN-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
SMILESC1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOCC2)NC1.CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2
InChIInChI=1S/5C23H24N4OS2.C23H22N4OS2.C22H20N4OS2/c6*1-2-27-9-6-17(23(27)7-10-28-13-23)21-12-16-18(5-8-24-22(16)30-21)26-15-3-4-20-19(11-15)25-14-29-20;1-2-19-18(24-13-28-19)11-14(1)26-17-4-7-23-21-15(17)12-20(29-21)16-3-8-25-22(16)5-9-27-10-6-22/h5*3-5,8,11-12,14,17H,2,6-7,9-10,13H2,1H3,(H,24,26);3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,24,26);1-4,7,11-13,25H,5-6,8-10H2,(H,23,26)/t2*17-,23+;2*17-,23-;;23-;/m1010.0./s1
InChIKeyNYARUPOMLIUIOS-BUSQSKNESA-N
MW3038.18 g/mol
LogP38.80
Rot. Bonds27

About N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine

N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 159918038) has the molecular formula C160H162N28O7S14 and a molecular weight of 3038.18 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID159918038
Molecular FormulaC160H162N28O7S14
Molecular Weight3038.18 g/mol
Exact Mass3034.93
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine
SMILESC1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOCC2)NC1.CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2
InChIInChI=1S/5C23H24N4OS2.C23H22N4OS2.C22H20N4OS2/c6*1-2-27-9-6-17(23(27)7-10-28-13-23)21-12-16-18(5-8-24-22(16)30-21)26-15-3-4-20-19(11-15)25-14-29-20;1-2-19-18(24-13-28-19)11-14(1)26-17-4-7-23-21-15(17)12-20(29-21)16-3-8-25-22(16)5-9-27-10-6-22/h5*3-5,8,11-12,14,17H,2,6-7,9-10,13H2,1H3,(H,24,26);3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,24,26);1-4,7,11-13,25H,5-6,8-10H2,(H,23,26)/t2*17-,23+;2*17-,23-;;23-;/m1010.0./s1
InChIKeyNYARUPOMLIUIOS-BUSQSKNESA-N
XLogP38.80
TPSA360.75 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds27
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003038.18
LogP ≤ 538.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Analyze N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine (CID 159918038) is N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine is C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOCC2)NC1.CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@@]12CCOC2.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)[C@]12CCOC2.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is NYARUPOMLIUIOS-BUSQSKNESA-N. The full InChI is InChI=1S/5C23H24N4OS2.C23H22N4OS2.C22H20N4OS2/c6*1-2-27-9-6-17(23(27)7-10-28-13-23)21-12-16-18(5-8-24-22(16)30-21)26-15-3-4-20-19(11-15)25-14-29-20;1-2-19-18(24-13-28-19)11-14(1)26-17-4-7-23-21-15(17)12-20(29-21)16-3-8-25-22(16)5-9-27-10-6-22/h5*3-5,8,11-12,14,17H,2,6-7,9-10,13H2,1H3,(H,24,26);3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,24,26);1-4,7,11-13,25H,5-6,8-10H2,(H,23,26)/t2*17-,23+;2*17-,23-;;23-;/m1010.0./s1.
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine?
N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 3038.18 g/mol, XLogP of 38.80, 27 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5R)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S,5S)-1-ethyl-7-oxa-1-azaspiro[4.4]nonan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(5R)-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-en-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(8-oxa-1-azaspiro[4.5]dec-3-en-4-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 159918038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).