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

C12H10ClFN2OS — CID 29454053

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2Cl)cs1
InChIInChI=1S/C12H10ClFN2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(14)4-10(11)13/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyGTDSFUGNHIGFCH-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.43
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29454053) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29454053
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2Cl)cs1
InChIInChI=1S/C12H10ClFN2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(14)4-10(11)13/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyGTDSFUGNHIGFCH-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29454053) is N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ccc(F)cc2Cl)cs1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GTDSFUGNHIGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(14)4-10(11)13/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29454053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).