4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

C13H15N3O2S2 — CID 46542151

IUPAC4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)c2cccs2)s1
InChIInChI=1S/C13H15N3O2S2/c1-8(2)12-15-16-13(20-12)14-11(18)6-5-9(17)10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16,18)
InChIKeyKXEHJGFJMCLMQL-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.32
Rot. Bonds6

About 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide

4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 46542151) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID46542151
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)c2cccs2)s1
InChIInChI=1S/C13H15N3O2S2/c1-8(2)12-15-16-13(20-12)14-11(18)6-5-9(17)10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16,18)
InChIKeyKXEHJGFJMCLMQL-UHFFFAOYSA-N
XLogP3.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875
N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
5-oxo-N-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpentanamide
CID 30768610
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide (CID 46542151) is 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is CC(C)c1nnc(NC(=O)CCC(=O)c2cccs2)s1.
What is the InChIKey of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is KXEHJGFJMCLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8(2)12-15-16-13(20-12)14-11(18)6-5-9(17)10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,16,18).
What are the key properties of 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide?
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 309.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 46542151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).