5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole

C10H7ClN4S — CID 1482583

IUPAC5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C10H7ClN4S/c11-10-12-5-7(16-10)6-15-9-4-2-1-3-8(9)13-14-15/h1-5H,6H2
InChIKeyQOVUOHPVXBMKMV-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.59
Rot. Bonds2

About 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole

5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole (PubChem CID 1482583) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole
PubChem CID1482583
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(Cn2nnc3ccccc32)s1
InChIInChI=1S/C10H7ClN4S/c11-10-12-5-7(16-10)6-15-9-4-2-1-3-8(9)13-14-15/h1-5H,6H2
InChIKeyQOVUOHPVXBMKMV-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(benzotriazol-1-ylmethyl)-2-chloro-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 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole (CID 1482583) is 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole is Clc1ncc(Cn2nnc3ccccc32)s1.
What is the InChIKey of 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole?
The InChIKey is QOVUOHPVXBMKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-10-12-5-7(16-10)6-15-9-4-2-1-3-8(9)13-14-15/h1-5H,6H2.
What are the key properties of 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole?
5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole has a molecular weight of 250.71 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-ylmethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 1482583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).