2-(benzotriazol-2-yl)-1,3-thiazole

C9H6N4S — CID 57266963

IUPAC2-(benzotriazol-2-yl)-1,3-thiazole
SMILESc1ccc2nn(-c3nccs3)nc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-13(12-8)9-10-5-6-14-9/h1-6H
InChIKeyBRNHOYYKQLTXRN-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.88
Rot. Bonds1

About 2-(benzotriazol-2-yl)-1,3-thiazole

2-(benzotriazol-2-yl)-1,3-thiazole (PubChem CID 57266963) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1,3-thiazole
PubChem CID57266963
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(benzotriazol-2-yl)-1,3-thiazole
SMILESc1ccc2nn(-c3nccs3)nc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-13(12-8)9-10-5-6-14-9/h1-6H
InChIKeyBRNHOYYKQLTXRN-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
CID 1380912
N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide
CID 3506464
1-(1,3-Thiazol-2-yl)-1H-benzimidazole
CID 11975920
2-(Benzotriazol-1-ylsulfonyl)-1,3-thiazole
CID 26794696
5-(Benzimidazol-1-yl)-1,3-thiazole
CID 18330977
1-[2-(Benzotriazol-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 19703855
2-(Benzotriazol-1-yl)-1,3-thiazole
CID 21219769
2-(Benzimidazol-1-ylmethyl)-1,3-thiazole
CID 21622805
2-(1H-1,2,3-triazol-1-yl)benzo[d]thiazole
CID 45077626
1-[2-(Benzotriazol-1-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 56991330
1-(Thiazol-2-yl)-1h-benzo[d]imidazol-2-amine
CID 57375508
2-[4-(2-Methylbenzimidazol-1-yl)piperazin-1-yl]-1,3-thiazole
CID 69821793

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(benzotriazol-2-yl)-1,3-thiazole (CID 57266963) is 2-(benzotriazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(benzotriazol-2-yl)-1,3-thiazole is c1ccc2nn(-c3nccs3)nc2c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1,3-thiazole?
The InChIKey is BRNHOYYKQLTXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-13(12-8)9-10-5-6-14-9/h1-6H.
What are the key properties of 2-(benzotriazol-2-yl)-1,3-thiazole?
2-(benzotriazol-2-yl)-1,3-thiazole has a molecular weight of 202.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 57266963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).