2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine

C11H9N3S2 — CID 66202476

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine
SMILESCc1ncsc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H9N3S2/c1-6-10(15-5-13-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3
InChIKeyOLWPGGBVJGVGLH-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.31
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine

2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 66202476) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine
PubChem CID66202476
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine
SMILESCc1ncsc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H9N3S2/c1-6-10(15-5-13-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3
InChIKeyOLWPGGBVJGVGLH-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine (CID 66202476) is 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine is Cc1ncsc1-c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine?
The InChIKey is OLWPGGBVJGVGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-6-10(15-5-13-6)11-14-8-3-2-7(12)4-9(8)16-11/h2-5H,12H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine?
2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 247.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66202476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).