4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole

C19H16N4OS — CID 30848707

IUPAC4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-6-4-3-5-7-15)19-20-17(12-25-19)14-8-10-16(24-2)11-9-14/h3-12H,1-2H3
InChIKeyJKUHBAKMGAIFSG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole

4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (PubChem CID 30848707) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
PubChem CID30848707
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-6-4-3-5-7-15)19-20-17(12-25-19)14-8-10-16(24-2)11-9-14/h3-12H,1-2H3
InChIKeyJKUHBAKMGAIFSG-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (CID 30848707) is 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is COc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The InChIKey is JKUHBAKMGAIFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-6-4-3-5-7-15)19-20-17(12-25-19)14-8-10-16(24-2)11-9-14/h3-12H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole has a molecular weight of 348.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 30848707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).