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

C19H16N4OS — CID 30849863

IUPAC4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)c1
InChIInChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-8-4-3-5-9-15)19-20-17(12-25-19)14-7-6-10-16(11-14)24-2/h3-12H,1-2H3
InChIKeyVGWIYEUSRXQKKS-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds4

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

4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (PubChem CID 30849863) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
PubChem CID30849863
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole
SMILESCOc1cccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)c1
InChIInChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-8-4-3-5-9-15)19-20-17(12-25-19)14-7-6-10-16(11-14)24-2/h3-12H,1-2H3
InChIKeyVGWIYEUSRXQKKS-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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Related Compounds

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CID 132278930
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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole (CID 30849863) is 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is COc1cccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
The InChIKey is VGWIYEUSRXQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-18(21-22-23(13)15-8-4-3-5-9-15)19-20-17(12-25-19)14-7-6-10-16(11-14)24-2/h3-12H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole?
4-(3-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-(3-methoxyphenyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 30849863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).