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

C16H14N6S — CID 72870210

IUPAC5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCn1ccnc1-c1cn(Cc2scnc2-c2ccccc2)nn1
InChIInChI=1S/C16H14N6S/c1-21-8-7-17-16(21)13-9-22(20-19-13)10-14-15(18-11-23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeySSIYIFNCOUXXJC-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.85
Rot. Bonds4

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

5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 72870210) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID72870210
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCn1ccnc1-c1cn(Cc2scnc2-c2ccccc2)nn1
InChIInChI=1S/C16H14N6S/c1-21-8-7-17-16(21)13-9-22(20-19-13)10-14-15(18-11-23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeySSIYIFNCOUXXJC-UHFFFAOYSA-N
XLogP2.85
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-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 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole (CID 72870210) is 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole is Cn1ccnc1-c1cn(Cc2scnc2-c2ccccc2)nn1.
What is the InChIKey of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is SSIYIFNCOUXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-21-8-7-17-16(21)13-9-22(20-19-13)10-14-15(18-11-23-14)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3.
What are the key properties of 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole?
5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 322.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 72870210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).