2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole

C13H12N4S — CID 114034068

IUPAC2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2nc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C13H12N4S/c1-8-11(18-9(2)14-8)13-15-12(16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGRETXUVINDVCTH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.21
Rot. Bonds2

About 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole

2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 114034068) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID114034068
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2nc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C13H12N4S/c1-8-11(18-9(2)14-8)13-15-12(16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyGRETXUVINDVCTH-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
5-(3-methoxythiophen-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 81121779
5-(5-bromo-4-methylthiophen-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 79989538
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
5-(4,5-dibromothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 80537623
2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 62947410
4-[5-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-1H-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82569596
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 114034068) is 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nc(C)c(-c2nc(-c3ccccc3)n[nH]2)s1.
What is the InChIKey of 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is GRETXUVINDVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-11(18-9(2)14-8)13-15-12(16-17-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 256.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 114034068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).