N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C25H34F2N4O2S — CID 155347384

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OCC(C)(F)F)sc3CC2)CC1
InChIInChI=1S/C25H34F2N4O2S/c1-17-20(4-3-12-28-17)23(32)29-19-7-5-18(6-8-19)9-13-31-14-10-21-22(11-15-31)34-24(30-21)33-16-25(2,26)27/h3-4,12,18-19H,5-11,13-16H2,1-2H3,(H,29,32)
InChIKeyYLLFOYMWGWZZIG-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.66
Rot. Bonds8

About N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 155347384) has the molecular formula C25H34F2N4O2S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID155347384
Molecular FormulaC25H34F2N4O2S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OCC(C)(F)F)sc3CC2)CC1
InChIInChI=1S/C25H34F2N4O2S/c1-17-20(4-3-12-28-17)23(32)29-19-7-5-18(6-8-19)9-13-31-14-10-21-22(11-15-31)34-24(30-21)33-16-25(2,26)27/h3-4,12,18-19H,5-11,13-16H2,1-2H3,(H,29,32)
InChIKeyYLLFOYMWGWZZIG-UHFFFAOYSA-N
XLogP4.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

(4-Methyl-1,3-thiazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56668893
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 84507995
2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 138670766
N-[4-fluoro-4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 138670793
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 138671105
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 138671461
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 138671636
2-(difluoromethyl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]pyridine-3-carboxamide
CID 153196628
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 155347217
2-methyl-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]-1-bicyclo[2.2.2]octanyl]pyridine-3-carboxamide
CID 155347550
2-(difluoromethyl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 155791894
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methyl-1-oxoisoquinoline-5-carboxamide
CID 156058340

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 155347384) is N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC1CCC(CCN2CCc3nc(OCC(C)(F)F)sc3CC2)CC1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is YLLFOYMWGWZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N4O2S/c1-17-20(4-3-12-28-17)23(32)29-19-7-5-18(6-8-19)9-13-31-14-10-21-22(11-15-31)34-24(30-21)33-16-25(2,26)27/h3-4,12,18-19H,5-11,13-16H2,1-2H3,(H,29,32).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 492.64 g/mol, XLogP of 4.66, 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-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155347384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).