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

C16H11N5S — CID 563929

IUPAC4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(-n2ncnc2-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H11N5S/c1-2-4-13(5-3-1)21-15(18-11-19-21)14-10-22-16(20-14)12-6-8-17-9-7-12/h1-11H
InChIKeyYEMWHENWTLSCJV-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.45
Rot. Bonds3

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

4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 563929) has the molecular formula C16H11N5S and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID563929
Molecular FormulaC16H11N5S
Molecular Weight305.37 g/mol
Exact Mass305.07
IUPAC Name4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1ccc(-n2ncnc2-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H11N5S/c1-2-4-13(5-3-1)21-15(18-11-19-21)14-10-22-16(20-14)12-6-8-17-9-7-12/h1-11H
InChIKeyYEMWHENWTLSCJV-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole (CID 563929) is 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole is c1ccc(-n2ncnc2-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is YEMWHENWTLSCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S/c1-2-4-13(5-3-1)21-15(18-11-19-21)14-10-22-16(20-14)12-6-8-17-9-7-12/h1-11H.
What are the key properties of 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole?
4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 305.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-1,2,4-triazol-3-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 563929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).