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

C14H13N3S — CID 640718

IUPAC2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3cc4c(n3)CCCC4)nc2c1
InChIInChI=1S/C14H13N3S/c1-2-6-11-10(5-1)9-17(16-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-9H,1-2,5-6H2
InChIKeyBTQWKAQRRVHGLJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.36
Rot. Bonds1

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

2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole (PubChem CID 640718) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole
PubChem CID640718
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3cc4c(n3)CCCC4)nc2c1
InChIInChI=1S/C14H13N3S/c1-2-6-11-10(5-1)9-17(16-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-9H,1-2,5-6H2
InChIKeyBTQWKAQRRVHGLJ-UHFFFAOYSA-N
XLogP3.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,6,7-tetrahydroindazol-2-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-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole (CID 640718) is 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole is c1ccc2sc(-n3cc4c(n3)CCCC4)nc2c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole?
The InChIKey is BTQWKAQRRVHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-6-11-10(5-1)9-17(16-11)14-15-12-7-3-4-8-13(12)18-14/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole?
2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole has a molecular weight of 255.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 640718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).