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

C12H10ClFN2OS — CID 31507606

IUPACN-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(Cl)c2F)cs1
InChIInChI=1S/C12H10ClFN2OS/c1-7-15-8(6-18-7)5-11(17)16-10-4-2-3-9(13)12(10)14/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyHUTZSDLAFKDYLO-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.43
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 31507606) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID31507606
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(Cl)c2F)cs1
InChIInChI=1S/C12H10ClFN2OS/c1-7-15-8(6-18-7)5-11(17)16-10-4-2-3-9(13)12(10)14/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyHUTZSDLAFKDYLO-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 43442748
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5106080
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
N-(1H-indol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473029
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 31507606) is N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cccc(Cl)c2F)cs1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HUTZSDLAFKDYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7-15-8(6-18-7)5-11(17)16-10-4-2-3-9(13)12(10)14/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 284.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 31507606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).