3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole

C15H15N5S2 — CID 133426974

IUPAC3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCn1c(Sc2nc(C3CC3)ns2)nnc1-c1ccccc1
InChIInChI=1S/C15H15N5S2/c1-2-20-13(11-6-4-3-5-7-11)17-18-14(20)21-15-16-12(19-22-15)10-8-9-10/h3-7,10H,2,8-9H2,1H3
InChIKeyCGEGRDZRNWARAW-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.85
Rot. Bonds5

About 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole

3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (PubChem CID 133426974) has the molecular formula C15H15N5S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
PubChem CID133426974
Molecular FormulaC15H15N5S2
Molecular Weight329.45 g/mol
Exact Mass329.08
IUPAC Name3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCn1c(Sc2nc(C3CC3)ns2)nnc1-c1ccccc1
InChIInChI=1S/C15H15N5S2/c1-2-20-13(11-6-4-3-5-7-11)17-18-14(20)21-15-16-12(19-22-15)10-8-9-10/h3-7,10H,2,8-9H2,1H3
InChIKeyCGEGRDZRNWARAW-UHFFFAOYSA-N
XLogP3.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole with MolForge

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Related Compounds

3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133426983
5-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426986
3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133426901
5-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426956
3-cyclopropyl-5-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133427458
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119
3-butylsulfanyl-4-ethyl-5-phenyl-1,2,4-triazole
CID 78812573
4-chloro-2-cyclopropyl-6-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420883
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 133427800
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2404814
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 2479408
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133443669

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (CID 133426974) is 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is CCn1c(Sc2nc(C3CC3)ns2)nnc1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The InChIKey is CGEGRDZRNWARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S2/c1-2-20-13(11-6-4-3-5-7-11)17-18-14(20)21-15-16-12(19-22-15)10-8-9-10/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole has a molecular weight of 329.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 133426974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).