2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole

C12H10N2S3 — CID 3051698

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
SMILESCCSc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C12H10N2S3/c1-2-15-12-14-9(7-16-12)11-13-8-5-3-4-6-10(8)17-11/h3-7H,2H2,1H3
InChIKeyQKIQSOOKMVCTPF-UHFFFAOYSA-N
MW278.43 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole (PubChem CID 3051698) has the molecular formula C12H10N2S3 and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
PubChem CID3051698
Molecular FormulaC12H10N2S3
Molecular Weight278.43 g/mol
Exact Mass278.00
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole
SMILESCCSc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C12H10N2S3/c1-2-15-12-14-9(7-16-12)11-13-8-5-3-4-6-10(8)17-11/h3-7H,2H2,1H3
InChIKeyQKIQSOOKMVCTPF-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole (CID 3051698) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole is CCSc1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole?
The InChIKey is QKIQSOOKMVCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S3/c1-2-15-12-14-9(7-16-12)11-13-8-5-3-4-6-10(8)17-11/h3-7H,2H2,1H3.
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole has a molecular weight of 278.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 3051698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).