5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole

C15H17N5S2 — CID 126837029

IUPAC5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(CSc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C15H17N5S2/c1-10(2)13-16-12(22-19-13)9-21-15-18-17-14(20(15)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOAACCQFHPWFTQL-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.75
Rot. Bonds5

About 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole

5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 126837029) has the molecular formula C15H17N5S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID126837029
Molecular FormulaC15H17N5S2
Molecular Weight331.47 g/mol
Exact Mass331.09
IUPAC Name5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(CSc2nnc(-c3ccccc3)n2C)n1
InChIInChI=1S/C15H17N5S2/c1-10(2)13-16-12(22-19-13)9-21-15-18-17-14(20(15)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOAACCQFHPWFTQL-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
CID 38870010
4-methyl-3-[[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 4003653
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 38870013
6-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40569933
4-methyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 7895696
5-methyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole
CID 8950679
5-chloro-1-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
CID 87018548
N,N-dimethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 134066076
(2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 9484439
2-benzyl-4-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 43075355
4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7897610
N-benzyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2623211

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole (CID 126837029) is 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(CSc2nnc(-c3ccccc3)n2C)n1.
What is the InChIKey of 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is OAACCQFHPWFTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2/c1-10(2)13-16-12(22-19-13)9-21-15-18-17-14(20(15)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 331.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 126837029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).