4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole

C12H9N5S — CID 173106364

IUPAC4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole
SMILESCc1nc(-c2cc3cc(-c4nn[nH]n4)c2=3)sc1C
InChIInChI=1S/C12H9N5S/c1-5-6(2)18-12(13-5)9-4-7-3-8(10(7)9)11-14-16-17-15-11/h3-4H,1-2H3,(H,14,15,16,17)
InChIKeyBXTUUAFQNQQYJW-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.21
Rot. Bonds2

About 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole

4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole (PubChem CID 173106364) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole
PubChem CID173106364
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole
SMILESCc1nc(-c2cc3cc(-c4nn[nH]n4)c2=3)sc1C
InChIInChI=1S/C12H9N5S/c1-5-6(2)18-12(13-5)9-4-7-3-8(10(7)9)11-14-16-17-15-11/h3-4H,1-2H3,(H,14,15,16,17)
InChIKeyBXTUUAFQNQQYJW-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-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 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole (CID 173106364) is 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole is Cc1nc(-c2cc3cc(-c4nn[nH]n4)c2=3)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole?
The InChIKey is BXTUUAFQNQQYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-5-6(2)18-12(13-5)9-4-7-3-8(10(7)9)11-14-16-17-15-11/h3-4H,1-2H3,(H,14,15,16,17).
What are the key properties of 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole?
4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole has a molecular weight of 255.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(2H-tetrazol-5-yl)-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl]-1,3-thiazole is sourced from PubChem (CID 173106364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).