4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole

C19H16N4OS — CID 4797543

IUPAC4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3
InChIKeyRMUUJAGEOBVVMZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds4

About 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole

4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole (PubChem CID 4797543) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
PubChem CID4797543
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3
InChIKeyRMUUJAGEOBVVMZ-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-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole (CID 4797543) is 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole is COc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The InChIKey is RMUUJAGEOBVVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3.
What are the key properties of 4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
4-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-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-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 4797543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).