6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine

C11H8FN3OS — CID 81177516

IUPAC6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3ccon3)sc2c1
InChIInChI=1S/C11H8FN3OS/c12-7-1-2-9-10(5-7)17-11(14-9)13-6-8-3-4-16-15-8/h1-5H,6H2,(H,13,14)
InChIKeyYSZQXSSNTSJHDZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.04
Rot. Bonds3

About 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 81177516) has the molecular formula C11H8FN3OS and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID81177516
Molecular FormulaC11H8FN3OS
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Name6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3ccon3)sc2c1
InChIInChI=1S/C11H8FN3OS/c12-7-1-2-9-10(5-7)17-11(14-9)13-6-8-3-4-16-15-8/h1-5H,6H2,(H,13,14)
InChIKeyYSZQXSSNTSJHDZ-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
6-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143401
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146143572
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 81177516) is 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCc3ccon3)sc2c1.
What is the InChIKey of 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is YSZQXSSNTSJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS/c12-7-1-2-9-10(5-7)17-11(14-9)13-6-8-3-4-16-15-8/h1-5H,6H2,(H,13,14).
What are the key properties of 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 249.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 81177516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).