N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C12H11FN2OS — CID 2227870

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)15-12-14-7-10(17-12)6-9-4-2-3-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyKITHXNPZEITZLV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.83
Rot. Bonds3

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2227870) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID2227870
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Cc2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)15-12-14-7-10(17-12)6-9-4-2-3-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyKITHXNPZEITZLV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122093542
2-(4-acetylphenoxy)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836322
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 3685021
2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956531
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 167327128
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 164896241

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 2227870) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Cc2ccccc2F)s1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KITHXNPZEITZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)15-12-14-7-10(17-12)6-9-4-2-3-5-11(9)13/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2227870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).