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

C12H11FN2OS — CID 29453414

IUPACN-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyLZBRYRNOVXVLPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.77
Rot. Bonds3

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

N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29453414) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29453414
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C12H11FN2OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyLZBRYRNOVXVLPG-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29453414) is N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cccc(F)c2)cs1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LZBRYRNOVXVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29453414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).