2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole

C12H15N3S — CID 71081539

IUPAC2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
SMILESCCn1nc2c(c1-c1nccs1)CCCC2
InChIInChI=1S/C12H15N3S/c1-2-15-11(12-13-7-8-16-12)9-5-3-4-6-10(9)14-15/h7-8H,2-6H2,1H3
InChIKeyBOASIUNDJKTNJP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole

2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole (PubChem CID 71081539) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
PubChem CID71081539
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
SMILESCCn1nc2c(c1-c1nccs1)CCCC2
InChIInChI=1S/C12H15N3S/c1-2-15-11(12-13-7-8-16-12)9-5-3-4-6-10(9)14-15/h7-8H,2-6H2,1H3
InChIKeyBOASIUNDJKTNJP-UHFFFAOYSA-N
XLogP2.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-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-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole (CID 71081539) is 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole is CCn1nc2c(c1-c1nccs1)CCCC2.
What is the InChIKey of 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
The InChIKey is BOASIUNDJKTNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-15-11(12-13-7-8-16-12)9-5-3-4-6-10(9)14-15/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole?
2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 71081539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).