2H-benzotriazole;1,3-thiazole

C9H8N4S — CID 141113342

IUPAC2H-benzotriazole;1,3-thiazole
SMILESc1ccc2n[nH]nc2c1.c1cscn1
InChIInChI=1S/C6H5N3.C3H3NS/c1-2-4-6-5(3-1)7-9-8-6;1-2-5-3-4-1/h1-4H,(H,7,8,9);1-3H
InChIKeyHYHDDROSXHQWJG-UHFFFAOYSA-N
MW204.26 g/mol
LogP2.10
Rot. Bonds

About 2H-benzotriazole;1,3-thiazole

2H-benzotriazole;1,3-thiazole (PubChem CID 141113342) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 2H-benzotriazole;1,3-thiazole.

Molecular Properties

Compound Name2H-benzotriazole;1,3-thiazole
PubChem CID141113342
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name2H-benzotriazole;1,3-thiazole
SMILESc1ccc2n[nH]nc2c1.c1cscn1
InChIInChI=1S/C6H5N3.C3H3NS/c1-2-4-6-5(3-1)7-9-8-6;1-2-5-3-4-1/h1-4H,(H,7,8,9);1-3H
InChIKeyHYHDDROSXHQWJG-UHFFFAOYSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[(1-Phenyltriazol-4-yl)methylsulfanyl]-1,3-benzothiazole
CID 57382663
2-[[1-(3-Pyridyl)triazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 57382664
Benzthiazolyltriazole
CID 129767011
2-(Benzotriazol-1-ylsulfonyl)-1,3-thiazole
CID 26794696
6-(2H-1,2,3-Triazol-2-yl)benzo[d]thiazole
CID 10774718
1,3-benzothiazole;2H-benzotriazole
CID 17995856
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-(2H-benzotriazol-4-yl)-1,3-thiazole
CID 54149374
1-[2-(Benzotriazol-1-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 56991330

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;1,3-thiazole?
The IUPAC name of 2H-benzotriazole;1,3-thiazole (CID 141113342) is 2H-benzotriazole;1,3-thiazole.
What is the SMILES notation for 2H-benzotriazole;1,3-thiazole?
The canonical SMILES for 2H-benzotriazole;1,3-thiazole is c1ccc2n[nH]nc2c1.c1cscn1.
What is the InChIKey of 2H-benzotriazole;1,3-thiazole?
The InChIKey is HYHDDROSXHQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C3H3NS/c1-2-4-6-5(3-1)7-9-8-6;1-2-5-3-4-1/h1-4H,(H,7,8,9);1-3H.
What are the key properties of 2H-benzotriazole;1,3-thiazole?
2H-benzotriazole;1,3-thiazole has a molecular weight of 204.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;1,3-thiazole is sourced from PubChem (CID 141113342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).