1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone

C16H13FN2OS — CID 110825424

IUPAC1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
SMILESCc1ccc2nc(NCC(=O)c3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H13FN2OS/c1-10-2-7-13-15(8-10)21-16(19-13)18-9-14(20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLOBNZSHUMANADA-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone

1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone (PubChem CID 110825424) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
PubChem CID110825424
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
SMILESCc1ccc2nc(NCC(=O)c3ccc(F)cc3)sc2c1
InChIInChI=1S/C16H13FN2OS/c1-10-2-7-13-15(8-10)21-16(19-13)18-9-14(20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLOBNZSHUMANADA-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate
CID 110825430
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-fluorophenyl)ethanone
CID 110825428
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
1-(4-bromophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825553
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82192999
2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
CID 19213615
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 35983268
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone (CID 110825424) is 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone is Cc1ccc2nc(NCC(=O)c3ccc(F)cc3)sc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone?
The InChIKey is LOBNZSHUMANADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10-2-7-13-15(8-10)21-16(19-13)18-9-14(20)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone?
1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone has a molecular weight of 300.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone is sourced from PubChem (CID 110825424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).