2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide

C18H17ClF5N3OS — CID 118303019

IUPAC2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C(F)F)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClF5N3OS/c19-10-2-1-3-11(20)13(10)17(28)25-8-12(15-14(16(21)22)26-9-29-15)27-6-4-18(23,24)5-7-27/h1-3,9,12,16H,4-8H2,(H,25,28)
InChIKeyZUMJICVCIQFBTG-UHFFFAOYSA-N
MW453.86 g/mol
LogP5.08
Rot. Bonds6

About 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (PubChem CID 118303019) has the molecular formula C18H17ClF5N3OS and a molecular weight of 453.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
PubChem CID118303019
Molecular FormulaC18H17ClF5N3OS
Molecular Weight453.86 g/mol
Exact Mass453.07
IUPAC Name2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C(F)F)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H17ClF5N3OS/c19-10-2-1-3-11(20)13(10)17(28)25-8-12(15-14(16(21)22)26-9-29-15)27-6-4-18(23,24)5-7-27/h1-3,9,12,16H,4-8H2,(H,25,28)
InChIKeyZUMJICVCIQFBTG-UHFFFAOYSA-N
XLogP5.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.86
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-methylbenzamide
CID 91827420
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
2-chloro-6-fluoro-N-(2-{4-[(2-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303523
2-chloro-6-fluoro-N-(2-{4-[(4-fluorophenyl)methoxy]piperidin-1-yl]}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303606
2-chloro-N-(2-{4-[(3,5-difluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)-6-fluorobenzamide
CID 134303648
2-chloro-6-fluoro-N-(2-{4-[(3-fluorophenyl)methoxy]piperidin-1-yl}-2-(4-methyl-1,3-thiazol-5-yl)ethyl)benzamide
CID 134303675
2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one
CID 45488933
N-[(2-chloro-4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
CID 78318593
2-chloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-fluoro-benzamide
CID 118289459
2-chloro-N-[2-(3,3-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-fluorobenzamide
CID 118289462
2-chloro-6-fluoro-N(2-(morpholin-4-yl)-2-(thiazol-5-yl)-ethyl)benzamide
CID 118289465
N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (CID 118303019) is 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is O=C(NCC(c1scnc1C(F)F)N1CCC(F)(F)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The InChIKey is ZUMJICVCIQFBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF5N3OS/c19-10-2-1-3-11(20)13(10)17(28)25-8-12(15-14(16(21)22)26-9-29-15)27-6-4-18(23,24)5-7-27/h1-3,9,12,16H,4-8H2,(H,25,28).
What are the key properties of 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide has a molecular weight of 453.86 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118303019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).