2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C16H11ClFN3OS — CID 4800248

IUPAC2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-11-4-3-5-12(18)10(11)8-15(22)21-16-20-14(9-23-16)13-6-1-2-7-19-13/h1-7,9H,8H2,(H,20,21,22)
InChIKeyTWCJLHWEKZGKHD-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4800248) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4800248
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H11ClFN3OS/c17-11-4-3-5-12(18)10(11)8-15(22)21-16-20-14(9-23-16)13-6-1-2-7-19-13/h1-7,9H,8H2,(H,20,21,22)
InChIKeyTWCJLHWEKZGKHD-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176859822
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27993119
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
2-(4-bromo-2-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 41163697
3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 55487003
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 4800248) is 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is TWCJLHWEKZGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-11-4-3-5-12(18)10(11)8-15(22)21-16-20-14(9-23-16)13-6-1-2-7-19-13/h1-7,9H,8H2,(H,20,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4800248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).