2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H26N4OS — CID 126863034

IUPAC2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCCC2
InChIInChI=1S/C20H26N4OS/c25-19-12-15-4-1-2-5-16(15)22-24(19)13-14-8-10-23(11-9-14)20-21-17-6-3-7-18(17)26-20/h12,14H,1-11,13H2
InChIKeyKLYLIFAVFAIXEB-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.98
Rot. Bonds3

About 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126863034) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126863034
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCCC2
InChIInChI=1S/C20H26N4OS/c25-19-12-15-4-1-2-5-16(15)22-24(19)13-14-8-10-23(11-9-14)20-21-17-6-3-7-18(17)26-20/h12,14H,1-11,13H2
InChIKeyKLYLIFAVFAIXEB-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943703
3-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944117
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)-N-[(2Z)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]acetamide
CID 52897671
6-tert-butyl-2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126862567
6-Tert-butyl-2-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862568
4-[(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126862767
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862946
2-{[1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863035
2-{[1-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126863081
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126864169
6-Methyl-2-{[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126864170
4-({3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-2-yl}methyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126864766

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126863034) is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCN(c3nc4c(s3)CCC4)CC1)CCCC2.
What is the InChIKey of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is KLYLIFAVFAIXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19-12-15-4-1-2-5-16(15)22-24(19)13-14-8-10-23(11-9-14)20-21-17-6-3-7-18(17)26-20/h12,14H,1-11,13H2.
What are the key properties of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 370.52 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126863034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).