2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide

C10H10N4O2S3 — CID 47136233

IUPAC2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCSc1nncs1
InChIInChI=1S/C10H10N4O2S3/c11-8(16)6-1-3-17-9(6)13-7(15)2-4-18-10-14-12-5-19-10/h1,3,5H,2,4H2,(H2,11,16)(H,13,15)
InChIKeyHRRWCNAMYPKZNL-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide

2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide (PubChem CID 47136233) has the molecular formula C10H10N4O2S3 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
PubChem CID47136233
Molecular FormulaC10H10N4O2S3
Molecular Weight314.42 g/mol
Exact Mass314.00
IUPAC Name2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCSc1nncs1
InChIInChI=1S/C10H10N4O2S3/c11-8(16)6-1-3-17-9(6)13-7(15)2-4-18-10-14-12-5-19-10/h1,3,5H,2,4H2,(H2,11,16)(H,13,15)
InChIKeyHRRWCNAMYPKZNL-UHFFFAOYSA-N
XLogP1.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide (CID 47136233) is 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCSc1nncs1.
What is the InChIKey of 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide?
The InChIKey is HRRWCNAMYPKZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S3/c11-8(16)6-1-3-17-9(6)13-7(15)2-4-18-10-14-12-5-19-10/h1,3,5H,2,4H2,(H2,11,16)(H,13,15).
What are the key properties of 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide?
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide has a molecular weight of 314.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 47136233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).