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

C14H9N5S3 — CID 2746675

IUPAC5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nc(Sc3nc(-c4cccs4)ns3)n[nH]2)cc1
InChIInChI=1S/C14H9N5S3/c1-2-5-9(6-3-1)11-15-13(18-17-11)21-14-16-12(19-22-14)10-7-4-8-20-10/h1-8H,(H,15,17,18)
InChIKeyAHVHAOXVAUASEY-UHFFFAOYSA-N
MW343.46 g/mol
LogP4.20
Rot. Bonds4

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

5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole (PubChem CID 2746675) has the molecular formula C14H9N5S3 and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole
PubChem CID2746675
Molecular FormulaC14H9N5S3
Molecular Weight343.46 g/mol
Exact Mass343.00
IUPAC Name5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole
SMILESc1ccc(-c2nc(Sc3nc(-c4cccs4)ns3)n[nH]2)cc1
InChIInChI=1S/C14H9N5S3/c1-2-5-9(6-3-1)11-15-13(18-17-11)21-14-16-12(19-22-14)10-7-4-8-20-10/h1-8H,(H,15,17,18)
InChIKeyAHVHAOXVAUASEY-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133492805
5-pyridin-2-ylsulfanyl-3-thiophen-2-yl-1,2,4-thiadiazole
CID 2746630
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole
CID 2748790
5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole;dihydrate
CID 139081051
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid
CID 18708153
1-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7457488
2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7857109
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5177686
2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 6927999
5-(2-phenylphenyl)-3-[[5-(2-phenylphenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 164624541
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4-phenyl-1,3-thiazole
CID 18708868

Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole (CID 2746675) is 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole is c1ccc(-c2nc(Sc3nc(-c4cccs4)ns3)n[nH]2)cc1.
What is the InChIKey of 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole?
The InChIKey is AHVHAOXVAUASEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S3/c1-2-5-9(6-3-1)11-15-13(18-17-11)21-14-16-12(19-22-14)10-7-4-8-20-10/h1-8H,(H,15,17,18).
What are the key properties of 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole?
5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole has a molecular weight of 343.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 2746675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).