1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C13H10FN3OS2 — CID 3238625

IUPAC1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
InChIInChI=1S/C13H10FN3OS2/c1-6-11(7(2)18)20-12(15-6)17-13-16-9-4-3-8(14)5-10(9)19-13/h3-5H,1-2H3,(H,15,16,17)
InChIKeyAZADNRHRHIYHGB-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.15
Rot. Bonds3

About 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 3238625) has the molecular formula C13H10FN3OS2 and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID3238625
Molecular FormulaC13H10FN3OS2
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
InChIInChI=1S/C13H10FN3OS2/c1-6-11(7(2)18)20-12(15-6)17-13-16-9-4-3-8(14)5-10(9)19-13/h3-5H,1-2H3,(H,15,16,17)
InChIKeyAZADNRHRHIYHGB-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 3238625) is 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C.
What is the InChIKey of 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is AZADNRHRHIYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS2/c1-6-11(7(2)18)20-12(15-6)17-13-16-9-4-3-8(14)5-10(9)19-13/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 307.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 3238625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).