1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone

C12H11FN2OS — CID 62751151

IUPAC1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyWAOVUCRBCLBEOW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 62751151) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID62751151
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyWAOVUCRBCLBEOW-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(N,4-dimethylanilino)-1,3-thiazol-5-yl]ethanone
CID 62750298
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753772
2-(2-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392561
2-(2-fluoro-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568925
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 63727395
2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62765916
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62750308
1-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 63965723
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
5-(ethylaminomethyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62752893
1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
CID 62909843
N-(2-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 62751151) is 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)c2ccccc2F)s1.
What is the InChIKey of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is WAOVUCRBCLBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)11-7-14-12(17-11)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3.
What are the key properties of 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).