N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

C14H21N5O2S — CID 46993854

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(CN3CCCC3=O)C2)n1
InChIInChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)19-7-2-4-11(9-19)8-18-6-3-5-12(18)20/h11H,2-9H2,1H3,(H,15,16,17,21)
InChIKeySMVSYPKVYNBAFY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.71
Rot. Bonds3

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 46993854) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID46993854
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(CN3CCCC3=O)C2)n1
InChIInChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)19-7-2-4-11(9-19)8-18-6-3-5-12(18)20/h11H,2-9H2,1H3,(H,15,16,17,21)
InChIKeySMVSYPKVYNBAFY-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide (CID 46993854) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCC(CN3CCCC3=O)C2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SMVSYPKVYNBAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10-15-13(22-17-10)16-14(21)19-7-2-4-11(9-19)8-18-6-3-5-12(18)20/h11H,2-9H2,1H3,(H,15,16,17,21).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46993854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).