4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide

C12H15N3OS3 — CID 17218005

IUPAC4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(C)c2CC)s1
InChIInChI=1S/C12H15N3OS3/c1-4-8-7(3)18-6-9(8)10(16)13-11-14-15-12(19-11)17-5-2/h6H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyJVXPUCCHROLCJU-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.83
Rot. Bonds5

About 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide

4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 17218005) has the molecular formula C12H15N3OS3 and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID17218005
Molecular FormulaC12H15N3OS3
Molecular Weight313.47 g/mol
Exact Mass313.04
IUPAC Name4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(C)c2CC)s1
InChIInChI=1S/C12H15N3OS3/c1-4-8-7(3)18-6-9(8)10(16)13-11-14-15-12(19-11)17-5-2/h6H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyJVXPUCCHROLCJU-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 43045801
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
4,5-dibromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19219392
3-ethoxy-1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 16925467
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 2634102
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 7688601
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 2121252
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 20994654

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (CID 17218005) is 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is CCSc1nnc(NC(=O)c2csc(C)c2CC)s1.
What is the InChIKey of 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is JVXPUCCHROLCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS3/c1-4-8-7(3)18-6-9(8)10(16)13-11-14-15-12(19-11)17-5-2/h6H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17218005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).