1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

C13H13FN2OS — CID 79376448

IUPAC1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8-12(9(2)17)13(18-16-8)15-7-10-4-3-5-11(14)6-10/h3-6,15H,7H2,1-2H3
InChIKeyMHAXCIXMDNFPOM-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.41
Rot. Bonds4

About 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79376448) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79376448
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8-12(9(2)17)13(18-16-8)15-7-10-4-3-5-11(14)6-10/h3-6,15H,7H2,1-2H3
InChIKeyMHAXCIXMDNFPOM-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methyl-5-[(3-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363944
1-[5-[(3-methoxyphenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363807
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364544
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
5-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397195
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79376448) is 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1cccc(F)c1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is MHAXCIXMDNFPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-12(9(2)17)13(18-16-8)15-7-10-4-3-5-11(14)6-10/h3-6,15H,7H2,1-2H3.
What are the key properties of 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79376448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).