2-indol-1-yl-6-methyl-1,3-benzothiazole

C16H12N2S — CID 15048330

IUPAC2-indol-1-yl-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3ccc4ccccc43)sc2c1
InChIInChI=1S/C16H12N2S/c1-11-6-7-13-15(10-11)19-16(17-13)18-9-8-12-4-2-3-5-14(12)18/h2-10H,1H3
InChIKeyKDEVXGJMSVODTE-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.55
Rot. Bonds1

About 2-indol-1-yl-6-methyl-1,3-benzothiazole

2-indol-1-yl-6-methyl-1,3-benzothiazole (PubChem CID 15048330) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-indol-1-yl-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-indol-1-yl-6-methyl-1,3-benzothiazole
PubChem CID15048330
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name2-indol-1-yl-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3ccc4ccccc43)sc2c1
InChIInChI=1S/C16H12N2S/c1-11-6-7-13-15(10-11)19-16(17-13)18-9-8-12-4-2-3-5-14(12)18/h2-10H,1H3
InChIKeyKDEVXGJMSVODTE-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-indol-1-yl-6-methyl-1,3-benzothiazole 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

1-(6-methyl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde
CID 3784448
2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
CID 774195
N-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]-2-phenylethanamine
CID 4279301
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole
CID 86163173
2-indolo[1,2-c]quinazolin-6-yl-6-methyl-1,3-benzothiazole
CID 10872241
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
8-methyl-11-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 82017635
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
CID 71121660
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-indol-1-yl-6-methyl-1,3-benzothiazole (CID 15048330) is 2-indol-1-yl-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-indol-1-yl-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-indol-1-yl-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-n3ccc4ccccc43)sc2c1.
What is the InChIKey of 2-indol-1-yl-6-methyl-1,3-benzothiazole?
The InChIKey is KDEVXGJMSVODTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-11-6-7-13-15(10-11)19-16(17-13)18-9-8-12-4-2-3-5-14(12)18/h2-10H,1H3.
What are the key properties of 2-indol-1-yl-6-methyl-1,3-benzothiazole?
2-indol-1-yl-6-methyl-1,3-benzothiazole has a molecular weight of 264.35 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 15048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).