5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C11H15ClN4O2S — CID 80625511

IUPAC5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)C(=O)N1CCCCC1
InChIInChI=1S/C11H15ClN4O2S/c1-7(10(18)16-5-3-2-4-6-16)13-8(17)9-14-15-11(12)19-9/h7H,2-6H2,1H3,(H,13,17)
InChIKeyQRWWXQCWIPDFMR-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.32
Rot. Bonds3

About 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625511) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625511
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)C(=O)N1CCCCC1
InChIInChI=1S/C11H15ClN4O2S/c1-7(10(18)16-5-3-2-4-6-16)13-8(17)9-14-15-11(12)19-9/h7H,2-6H2,1H3,(H,13,17)
InChIKeyQRWWXQCWIPDFMR-UHFFFAOYSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624852
5-bromo-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 79964792
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 112697589
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
5-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 81315636
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80625511) is 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cl)s1)C(=O)N1CCCCC1.
What is the InChIKey of 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QRWWXQCWIPDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-7(10(18)16-5-3-2-4-6-16)13-8(17)9-14-15-11(12)19-9/h7H,2-6H2,1H3,(H,13,17).
What are the key properties of 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).