N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide

C14H22N4O2S — CID 4044677

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCCCC2C)s1
InChIInChI=1S/C14H22N4O2S/c1-3-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-5-4-6-10(18)2/h10H,3-9H2,1-2H3,(H,15,17,19)
InChIKeyCTDSWTBYIJQTKA-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.22
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 4044677) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
PubChem CID4044677
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
SMILESCCc1nnc(NC(=O)CCC(=O)N2CCCCC2C)s1
InChIInChI=1S/C14H22N4O2S/c1-3-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-5-4-6-10(18)2/h10H,3-9H2,1-2H3,(H,15,17,19)
InChIKeyCTDSWTBYIJQTKA-UHFFFAOYSA-N
XLogP2.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
CID 941330
4-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 940949
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
ethyl 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 43926612
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 124755959
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 1402444
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide (CID 4044677) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide is CCc1nnc(NC(=O)CCC(=O)N2CCCCC2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is CTDSWTBYIJQTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-5-4-6-10(18)2/h10H,3-9H2,1-2H3,(H,15,17,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 310.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 4044677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).