5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

C13H13N5S3 — CID 133425536

IUPAC5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nsc(Sc2nnc(Nc3cccc(C)c3)s2)n1
InChIInChI=1S/C13H13N5S3/c1-3-10-15-12(21-18-10)20-13-17-16-11(19-13)14-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyDQJIYDMUIWRTKU-UHFFFAOYSA-N
MW335.48 g/mol
LogP4.16
Rot. Bonds5

About 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133425536) has the molecular formula C13H13N5S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID133425536
Molecular FormulaC13H13N5S3
Molecular Weight335.48 g/mol
Exact Mass335.03
IUPAC Name5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nsc(Sc2nnc(Nc3cccc(C)c3)s2)n1
InChIInChI=1S/C13H13N5S3/c1-3-10-15-12(21-18-10)20-13-17-16-11(19-13)14-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyDQJIYDMUIWRTKU-UHFFFAOYSA-N
XLogP4.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 133425544
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
3-chloro-5-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425535
6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416076
1-[5-(3-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4051152
4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 7503610
2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41479835
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39599961
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7378209
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 3563699
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7378110
N-(3-methylphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 31837240

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 133425536) is 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is CCc1nsc(Sc2nnc(Nc3cccc(C)c3)s2)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DQJIYDMUIWRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S3/c1-3-10-15-12(21-18-10)20-13-17-16-11(19-13)14-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 335.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133425536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).