N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide

C12H10ClFN2OS — CID 110679697

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2OS/c1-7-11(18-6-15-7)5-12(17)16-8-2-3-10(14)9(13)4-8/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyTWIYVAPNNAPFPJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.43
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 110679697) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID110679697
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncsc1CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2OS/c1-7-11(18-6-15-7)5-12(17)16-8-2-3-10(14)9(13)4-8/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyTWIYVAPNNAPFPJ-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

N-(4-acetamidophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679721
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-chloro-4-fluorophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064495
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
2-(4-methyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110679736
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide (CID 110679697) is N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncsc1CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is TWIYVAPNNAPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7-11(18-6-15-7)5-12(17)16-8-2-3-10(14)9(13)4-8/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-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-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110679697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).