2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole

C11H9NS — CID 56976761

IUPAC2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc3ccc2=3)sc1C
InChIInChI=1S/C11H9NS/c1-6-7(2)13-11(12-6)10-5-8-3-4-9(8)10/h3-5H,1-2H3
InChIKeyXYSGUHDNLZSZRZ-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.03
Rot. Bonds1

About 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole

2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole (PubChem CID 56976761) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole
PubChem CID56976761
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2cc3ccc2=3)sc1C
InChIInChI=1S/C11H9NS/c1-6-7(2)13-11(12-6)10-5-8-3-4-9(8)10/h3-5H,1-2H3
InChIKeyXYSGUHDNLZSZRZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole 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-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole (CID 56976761) is 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-c2cc3ccc2=3)sc1C.
What is the InChIKey of 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is XYSGUHDNLZSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-6-7(2)13-11(12-6)10-5-8-3-4-9(8)10/h3-5H,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole?
2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 187.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 56976761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).