5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole

C13H13N5S — CID 115393428

IUPAC5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nncn1-c1ccccc1
InChIInChI=1S/C13H13N5S/c1-2-6-11-12(19-17-15-11)13-16-14-9-18(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyWTBGLHWTBSYVDZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.74
Rot. Bonds4

About 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole

5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole (PubChem CID 115393428) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole.

Molecular Properties

Compound Name5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole
PubChem CID115393428
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nncn1-c1ccccc1
InChIInChI=1S/C13H13N5S/c1-2-6-11-12(19-17-15-11)13-16-14-9-18(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyWTBGLHWTBSYVDZ-UHFFFAOYSA-N
XLogP2.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole
CID 115394316
4-[4-(4-propylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 126515167
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
4-phenyl-3-(propoxymethyl)-1,2,4-triazole
CID 107944041
N-ethyl-2-(4-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62817130
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole?
The IUPAC name of 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole (CID 115393428) is 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole.
What is the SMILES notation for 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole?
The canonical SMILES for 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole is CCCc1nnsc1-c1nncn1-c1ccccc1.
What is the InChIKey of 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole?
The InChIKey is WTBGLHWTBSYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-6-11-12(19-17-15-11)13-16-14-9-18(13)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole?
5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole has a molecular weight of 271.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole is sourced from PubChem (CID 115393428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).