1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide

C13H19N5O2S — CID 154818989

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESCc1nnc(N2CC(C(=O)NC3CCNCC3)CC2=O)s1
InChIInChI=1S/C13H19N5O2S/c1-8-16-17-13(21-8)18-7-9(6-11(18)19)12(20)15-10-2-4-14-5-3-10/h9-10,14H,2-7H2,1H3,(H,15,20)
InChIKeyMUZVOVCIQDSFIO-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.07
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide

1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide (PubChem CID 154818989) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
PubChem CID154818989
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
SMILESCc1nnc(N2CC(C(=O)NC3CCNCC3)CC2=O)s1
InChIInChI=1S/C13H19N5O2S/c1-8-16-17-13(21-8)18-7-9(6-11(18)19)12(20)15-10-2-4-14-5-3-10/h9-10,14H,2-7H2,1H3,(H,15,20)
InChIKeyMUZVOVCIQDSFIO-UHFFFAOYSA-N
XLogP0.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568494
N-(4-hydroxycyclohexyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568327
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155938580
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119387074
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
N-(2-methoxyethyl)-N-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154566425
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide (CID 154818989) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide is Cc1nnc(N2CC(C(=O)NC3CCNCC3)CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is MUZVOVCIQDSFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8-16-17-13(21-8)18-7-9(6-11(18)19)12(20)15-10-2-4-14-5-3-10/h9-10,14H,2-7H2,1H3,(H,15,20).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 154818989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).