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

C12H10F2N2OS — CID 29453919

IUPACN-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2F)cs1
InChIInChI=1S/C12H10F2N2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(13)4-10(11)14/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyWAUKKSDANSWYCU-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.91
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29453919) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29453919
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(F)cc2F)cs1
InChIInChI=1S/C12H10F2N2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(13)4-10(11)14/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyWAUKKSDANSWYCU-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29453919) is N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ccc(F)cc2F)cs1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WAUKKSDANSWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-7-15-9(6-18-7)5-12(17)16-11-3-2-8(13)4-10(11)14/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 268.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29453919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).