2-(2H-benzotriazol-4-yl)-1,3-thiazole

C9H6N4S — CID 54149374

IUPAC2-(2H-benzotriazol-4-yl)-1,3-thiazole
SMILESc1cc(-c2nccs2)c2n[nH]nc2c1
InChIInChI=1S/C9H6N4S/c1-2-6(9-10-4-5-14-9)8-7(3-1)11-13-12-8/h1-5H,(H,11,12,13)
InChIKeyOGRDFISAUNERSQ-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.08
Rot. Bonds1

About 2-(2H-benzotriazol-4-yl)-1,3-thiazole

2-(2H-benzotriazol-4-yl)-1,3-thiazole (PubChem CID 54149374) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(2H-benzotriazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2H-benzotriazol-4-yl)-1,3-thiazole
PubChem CID54149374
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(2H-benzotriazol-4-yl)-1,3-thiazole
SMILESc1cc(-c2nccs2)c2n[nH]nc2c1
InChIInChI=1S/C9H6N4S/c1-2-6(9-10-4-5-14-9)8-7(3-1)11-13-12-8/h1-5H,(H,11,12,13)
InChIKeyOGRDFISAUNERSQ-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(o-Tolyl)triazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 57382661
5-(4-Fluorophenyl)-2-(1-isopropylbenzotriazol-5-yl)thiazole
CID 156494174
5-(2-fluorophenyl)-2-(1-isopropyl-1H-benzo[d][1,2,3]triazol-5-yl)thiazole
CID 156494619
5-(3-fluorophenyl)-2-(1-isopropyl-1H-benzo[d][1,2,3]triazol-5-yl)thiazole
CID 156494634
Thiazolylindazole
CID 21334494
2-(1-Isopropylbenzotriazol-5-yl)-5-(o-tolyl)thiazole
CID 156494184
4,7-Di(thiazol-2-yl)-2,1,3-benzothiadiazole
CID 86064823
4-(1,3-Thiazol-2-yl)-7-(1,3-thiazol-5-yl)-2,1,3-benzothiadiazole
CID 101911046
1,2,3-Triazolyl-phenylthiazole
CID 168654967
2-[4-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]triazol-1-yl]ethanamine
CID 65948346
[1-[[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]triazol-4-yl]methanamine
CID 115458249
N-(2H-benzotriazol-5-ylmethyl)-N-methyl-1-(1,3-thiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 154889101

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(2H-benzotriazol-4-yl)-1,3-thiazole (CID 54149374) is 2-(2H-benzotriazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2H-benzotriazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(2H-benzotriazol-4-yl)-1,3-thiazole is c1cc(-c2nccs2)c2n[nH]nc2c1.
What is the InChIKey of 2-(2H-benzotriazol-4-yl)-1,3-thiazole?
The InChIKey is OGRDFISAUNERSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-6(9-10-4-5-14-9)8-7(3-1)11-13-12-8/h1-5H,(H,11,12,13).
What are the key properties of 2-(2H-benzotriazol-4-yl)-1,3-thiazole?
2-(2H-benzotriazol-4-yl)-1,3-thiazole has a molecular weight of 202.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 54149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).