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

C11H11N3O2S2 — CID 31265005

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nnc(NC(=O)CCC(=O)c2cccs2)s1
InChIInChI=1S/C11H11N3O2S2/c1-7-13-14-11(18-7)12-10(16)5-4-8(15)9-3-2-6-17-9/h2-3,6H,4-5H2,1H3,(H,12,14,16)
InChIKeyRMNWVNYBHLUSPK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.51
Rot. Bonds5

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 31265005) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID31265005
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nnc(NC(=O)CCC(=O)c2cccs2)s1
InChIInChI=1S/C11H11N3O2S2/c1-7-13-14-11(18-7)12-10(16)5-4-8(15)9-3-2-6-17-9/h2-3,6H,4-5H2,1H3,(H,12,14,16)
InChIKeyRMNWVNYBHLUSPK-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
5-oxo-N-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpentanamide
CID 30768610
4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 49025371
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
prop-2-enyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108796397

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 31265005) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1nnc(NC(=O)CCC(=O)c2cccs2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is RMNWVNYBHLUSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-7-13-14-11(18-7)12-10(16)5-4-8(15)9-3-2-6-17-9/h2-3,6H,4-5H2,1H3,(H,12,14,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 281.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 31265005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).