4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole

C14H14N4S2 — CID 1478785

IUPAC4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole
SMILESCSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C
InChIInChI=1S/C14H14N4S2/c1-9-11(12-16-17-14(19-3)18(12)2)20-13(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyRMTRVIWTMILIDO-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.64
Rot. Bonds3

About 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole

4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole (PubChem CID 1478785) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole
PubChem CID1478785
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole
SMILESCSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C
InChIInChI=1S/C14H14N4S2/c1-9-11(12-16-17-14(19-3)18(12)2)20-13(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyRMTRVIWTMILIDO-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole (CID 1478785) is 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole is CSc1nnc(-c2sc(-c3ccccc3)nc2C)n1C.
What is the InChIKey of 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole?
The InChIKey is RMTRVIWTMILIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-9-11(12-16-17-14(19-3)18(12)2)20-13(15-9)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole?
4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole has a molecular weight of 302.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 1478785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).