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

C14H10N6S3 — CID 133492805

IUPAC3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nc(-c3ccccc3)ns2)nnc1-c1cccs1
InChIInChI=1S/C14H10N6S3/c15-20-12(10-7-4-8-21-10)17-18-13(20)22-14-16-11(19-23-14)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyPVJWSYMRPIVCCK-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.39
Rot. Bonds4

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

3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine (PubChem CID 133492805) has the molecular formula C14H10N6S3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
PubChem CID133492805
Molecular FormulaC14H10N6S3
Molecular Weight358.48 g/mol
Exact Mass358.01
IUPAC Name3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2nc(-c3ccccc3)ns2)nnc1-c1cccs1
InChIInChI=1S/C14H10N6S3/c15-20-12(10-7-4-8-21-10)17-18-13(20)22-14-16-11(19-23-14)9-5-2-1-3-6-9/h1-8H,15H2
InChIKeyPVJWSYMRPIVCCK-UHFFFAOYSA-N
XLogP3.39
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-tert-butyl-5-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133492800
5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-thiophen-2-yl-1,2,4-thiadiazole
CID 2746675
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133389043
3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133420658
3-thiophen-2-yl-5-[4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,2,4-triazol-4-amine
CID 133369707
5-pyridin-2-ylsulfanyl-3-thiophen-2-yl-1,2,4-thiadiazole
CID 2746630
3-tert-butyl-5-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133494786
5-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-methylpyridazin-3-one
CID 133389044
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 7272673
4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile
CID 47105944
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 40881127
3-[(3-fluorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 1491543

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine (CID 133492805) is 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine is Nn1c(Sc2nc(-c3ccccc3)ns2)nnc1-c1cccs1.
What is the InChIKey of 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine?
The InChIKey is PVJWSYMRPIVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S3/c15-20-12(10-7-4-8-21-10)17-18-13(20)22-14-16-11(19-23-14)9-5-2-1-3-6-9/h1-8H,15H2.
What are the key properties of 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine?
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine has a molecular weight of 358.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133492805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).