2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide

C13H21N5O2S — CID 20958241

IUPAC2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C13H21N5O2S/c1-3-7-14-10(19)9-17(2)12-15-16-13(21-12)18-8-5-4-6-11(18)20/h3-9H2,1-2H3,(H,14,19)
InChIKeyJQHMQOFGDSMSSK-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.02
Rot. Bonds6

About 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide

2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide (PubChem CID 20958241) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
PubChem CID20958241
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C13H21N5O2S/c1-3-7-14-10(19)9-17(2)12-15-16-13(21-12)18-8-5-4-6-11(18)20/h3-9H2,1-2H3,(H,14,19)
InChIKeyJQHMQOFGDSMSSK-UHFFFAOYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide (CID 20958241) is 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide is CCCNC(=O)CN(C)c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The InChIKey is JQHMQOFGDSMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-7-14-10(19)9-17(2)12-15-16-13(21-12)18-8-5-4-6-11(18)20/h3-9H2,1-2H3,(H,14,19).
What are the key properties of 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide has a molecular weight of 311.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 20958241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).