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

C27H32F2N4O2S — CID 138670808

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESCC1Cc2sc(OCC(F)F)nc2CN1CCC1CCC(NC(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C27H32F2N4O2S/c1-17-14-24-23(32-27(36-24)35-16-25(28)29)15-33(17)13-11-18-7-9-19(10-8-18)31-26(34)21-4-2-6-22-20(21)5-3-12-30-22/h2-6,12,17-19,25H,7-11,13-16H2,1H3,(H,31,34)
InChIKeyGPLWHPJUIBVLQG-UHFFFAOYSA-N
MW514.64 g/mol
LogP5.46
Rot. Bonds8

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

N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (PubChem CID 138670808) has the molecular formula C27H32F2N4O2S and a molecular weight of 514.64 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-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-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
PubChem CID138670808
Molecular FormulaC27H32F2N4O2S
Molecular Weight514.64 g/mol
Exact Mass514.22
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
SMILESCC1Cc2sc(OCC(F)F)nc2CN1CCC1CCC(NC(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C27H32F2N4O2S/c1-17-14-24-23(32-27(36-24)35-16-25(28)29)15-33(17)13-11-18-7-9-19(10-8-18)31-26(34)21-4-2-6-22-20(21)5-3-12-30-22/h2-6,12,17-19,25H,7-11,13-16H2,1H3,(H,31,34)
InChIKeyGPLWHPJUIBVLQG-UHFFFAOYSA-N
XLogP5.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-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-(2,2-difluoroethoxy)-6-methyl-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-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide (CID 138670808) is N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-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-(2,2-difluoroethoxy)-6-methyl-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-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is CC1Cc2sc(OCC(F)F)nc2CN1CCC1CCC(NC(=O)c2cccc3ncccc23)CC1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
The InChIKey is GPLWHPJUIBVLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O2S/c1-17-14-24-23(32-27(36-24)35-16-25(28)29)15-33(17)13-11-18-7-9-19(10-8-18)31-26(34)21-4-2-6-22-20(21)5-3-12-30-22/h2-6,12,17-19,25H,7-11,13-16H2,1H3,(H,31,34).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide has a molecular weight of 514.64 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoroethoxy)-6-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide is sourced from PubChem (CID 138670808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).