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

C10H11N3OS3 — CID 1246313

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(C)c2)s1
InChIInChI=1S/C10H11N3OS3/c1-3-15-10-13-12-9(17-10)11-8(14)7-4-6(2)16-5-7/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyLETIDDANDFBGAN-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.27
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1246313) has the molecular formula C10H11N3OS3 and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID1246313
Molecular FormulaC10H11N3OS3
Molecular Weight285.42 g/mol
Exact Mass285.01
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2csc(C)c2)s1
InChIInChI=1S/C10H11N3OS3/c1-3-15-10-13-12-9(17-10)11-8(14)7-4-6(2)16-5-7/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyLETIDDANDFBGAN-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (CID 1246313) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is CCSc1nnc(NC(=O)c2csc(C)c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is LETIDDANDFBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS3/c1-3-15-10-13-12-9(17-10)11-8(14)7-4-6(2)16-5-7/h4-5H,3H2,1-2H3,(H,11,12,14).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 285.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).