1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

C13H13FN2OS — CID 62052817

IUPAC1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1F)Cc1cscn1
InChIInChI=1S/C13H13FN2OS/c1-16(6-10-8-18-9-15-10)7-13(17)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3
InChIKeySZZITHXVDHPXAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (PubChem CID 62052817) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
PubChem CID62052817
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1F)Cc1cscn1
InChIInChI=1S/C13H13FN2OS/c1-16(6-10-8-18-9-15-10)7-13(17)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3
InChIKeySZZITHXVDHPXAL-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051055
1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052236
1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051653
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 79522285
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 75378483
2-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]benzoic acid
CID 115923742
3-fluoro-N-methyl-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 47406337
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (CID 62052817) is 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is CN(CC(=O)c1ccccc1F)Cc1cscn1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The InChIKey is SZZITHXVDHPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16(6-10-8-18-9-15-10)7-13(17)11-4-2-3-5-12(11)14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone has a molecular weight of 264.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62052817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).