6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine

C15H11N3OS — CID 6504251

IUPAC6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(-c3ccc4nc(N)sc4c3)oc2c1
InChIInChI=1S/C15H11N3OS/c1-8-2-4-10-12(6-8)19-14(17-10)9-3-5-11-13(7-9)20-15(16)18-11/h2-7H,1H3,(H2,16,18)
InChIKeyGCCLSYHCYUEFIX-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.00
Rot. Bonds1

About 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine

6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 6504251) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID6504251
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(-c3ccc4nc(N)sc4c3)oc2c1
InChIInChI=1S/C15H11N3OS/c1-8-2-4-10-12(6-8)19-14(17-10)9-3-5-11-13(7-9)20-15(16)18-11/h2-7H,1H3,(H2,16,18)
InChIKeyGCCLSYHCYUEFIX-UHFFFAOYSA-N
XLogP4.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6-methyl-1,3-benzoxazol-2-yl)-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-(4-(2-fluorophenyl)-1,3-oxazol-5-yl)-N-(1-methylethyl)-1,3-benzothiazol-2-amine
CID 24755476
[4-(2,4-Dimethyl-oxazol-5-yl)-phenyl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
CID 44193962
N-isopropyl-6-(4-phenyloxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448074
6-(4-(2-Fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448087
N-ethyl-6-(4-(2-fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448088
N-(R)-sec-butyl-6-(4-(2-fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448089
N-(S)-sec-butyl-6-(4-(2-fluorophenyl)oxazol-5-yl)benzo[d]thiazol-2-amine
CID 44448090
N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 687454
2-(2-Amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
CID 797121
6-(1,3-Benzoxazol-2-yl)-1,3-benzothiazol-2-amine
CID 810326
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 1289925
6-(4-Fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole
CID 151541213

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine (CID 6504251) is 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(-c3ccc4nc(N)sc4c3)oc2c1.
What is the InChIKey of 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is GCCLSYHCYUEFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-8-2-4-10-12(6-8)19-14(17-10)9-3-5-11-13(7-9)20-15(16)18-11/h2-7H,1H3,(H2,16,18).
What are the key properties of 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 281.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6504251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).