N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

C29H35N5OS — CID 138670679

IUPACN-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35)
InChIKeyBLTQTSIKHDZFTP-UHFFFAOYSA-N
MW501.70 g/mol
LogP4.88
Rot. Bonds6

About N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide

N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 138670679) has the molecular formula C29H35N5OS and a molecular weight of 501.70 g/mol. Its IUPAC name is N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
PubChem CID138670679
Molecular FormulaC29H35N5OS
Molecular Weight501.70 g/mol
Exact Mass501.26
IUPAC NameN-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35)
InChIKeyBLTQTSIKHDZFTP-UHFFFAOYSA-N
XLogP4.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (CID 138670679) is N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is O=C(NC1CCC(CCN2CCc3sc(N4CC5CC5C4)nc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The InChIKey is BLTQTSIKHDZFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35).
What are the key properties of N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 501.70 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 138670679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).