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

C30H32N4OS — CID 138670653

IUPACN-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3nc(-c4ccccc4)sc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C30H32N4OS/c35-29(25-8-4-10-26-24(25)9-5-17-31-26)32-23-13-11-21(12-14-23)15-18-34-19-16-27-28(20-34)36-30(33-27)22-6-2-1-3-7-22/h1-10,17,21,23H,11-16,18-20H2,(H,32,35)
InChIKeyLUYABWSKHCCUGP-UHFFFAOYSA-N
MW496.68 g/mol
LogP6.10
Rot. Bonds6

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

N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 138670653) has the molecular formula C30H32N4OS and a molecular weight of 496.68 g/mol. Its IUPAC name is N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
PubChem CID138670653
Molecular FormulaC30H32N4OS
Molecular Weight496.68 g/mol
Exact Mass496.23
IUPAC NameN-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESO=C(NC1CCC(CCN2CCc3nc(-c4ccccc4)sc3C2)CC1)c1cccc2ncccc12
InChIInChI=1S/C30H32N4OS/c35-29(25-8-4-10-26-24(25)9-5-17-31-26)32-23-13-11-21(12-14-23)15-18-34-19-16-27-28(20-34)36-30(33-27)22-6-2-1-3-7-22/h1-10,17,21,23H,11-16,18-20H2,(H,32,35)
InChIKeyLUYABWSKHCCUGP-UHFFFAOYSA-N
XLogP6.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.68
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-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-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide (CID 138670653) is N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is O=C(NC1CCC(CCN2CCc3nc(-c4ccccc4)sc3C2)CC1)c1cccc2ncccc12.
What is the InChIKey of N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
The InChIKey is LUYABWSKHCCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4OS/c35-29(25-8-4-10-26-24(25)9-5-17-31-26)32-23-13-11-21(12-14-23)15-18-34-19-16-27-28(20-34)36-30(33-27)22-6-2-1-3-7-22/h1-10,17,21,23H,11-16,18-20H2,(H,32,35).
What are the key properties of N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide?
N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 496.68 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 138670653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).