4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole

C19H16N4S — CID 54670829

IUPAC4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C19H16N4S/c1-14-19(24-13-20-14)18(16-10-6-3-7-11-16)23-12-17(21-22-23)15-8-4-2-5-9-15/h2-13,18H,1H3
InChIKeyHRBPRXCFSGMZKV-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.35
Rot. Bonds4

About 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole

4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole (PubChem CID 54670829) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole
PubChem CID54670829
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C19H16N4S/c1-14-19(24-13-20-14)18(16-10-6-3-7-11-16)23-12-17(21-22-23)15-8-4-2-5-9-15/h2-13,18H,1H3
InChIKeyHRBPRXCFSGMZKV-UHFFFAOYSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole (CID 54670829) is 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1cc(-c2ccccc2)nn1.
What is the InChIKey of 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is HRBPRXCFSGMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-14-19(24-13-20-14)18(16-10-6-3-7-11-16)23-12-17(21-22-23)15-8-4-2-5-9-15/h2-13,18H,1H3.
What are the key properties of 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 332.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 54670829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).