2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole

C11H8N4S — CID 168654967

IUPAC2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cn[nH]n3)cs2)cc1
InChIInChI=1S/C11H8N4S/c1-2-4-8(5-3-1)11-13-10(7-16-11)9-6-12-15-14-9/h1-7H,(H,12,14,15)
InChIKeyYCULMJPUVASVLI-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.60
Rot. Bonds2

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

2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 168654967) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID168654967
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cn[nH]n3)cs2)cc1
InChIInChI=1S/C11H8N4S/c1-2-4-8(5-3-1)11-13-10(7-16-11)9-6-12-15-14-9/h1-7H,(H,12,14,15)
InChIKeyYCULMJPUVASVLI-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole (CID 168654967) is 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole is c1ccc(-c2nc(-c3cn[nH]n3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is YCULMJPUVASVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-4-8(5-3-1)11-13-10(7-16-11)9-6-12-15-14-9/h1-7H,(H,12,14,15).
What are the key properties of 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole?
2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 228.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 168654967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).