1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide

C14H21N5O3S — CID 50959780

IUPAC1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2nnc(C3CCCO3)s2)CC1
InChIInChI=1S/C14H21N5O3S/c15-12(21)9-3-5-19(6-4-9)8-11(20)16-14-18-17-13(23-14)10-2-1-7-22-10/h9-10H,1-8H2,(H2,15,21)(H,16,18,20)
InChIKeyNIRIJRAUPOCMHV-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.53
Rot. Bonds5

About 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide

1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide (PubChem CID 50959780) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
PubChem CID50959780
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2nnc(C3CCCO3)s2)CC1
InChIInChI=1S/C14H21N5O3S/c15-12(21)9-3-5-19(6-4-9)8-11(20)16-14-18-17-13(23-14)10-2-1-7-22-10/h9-10H,1-8H2,(H2,15,21)(H,16,18,20)
InChIKeyNIRIJRAUPOCMHV-UHFFFAOYSA-N
XLogP0.53
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[2-oxo-2-[[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
CID 95125307
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 124842295
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749946
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)acetamide
CID 124844510
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56761808

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide (CID 50959780) is 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2nnc(C3CCCO3)s2)CC1.
What is the InChIKey of 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The InChIKey is NIRIJRAUPOCMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c15-12(21)9-3-5-19(6-4-9)8-11(20)16-14-18-17-13(23-14)10-2-1-7-22-10/h9-10H,1-8H2,(H2,15,21)(H,16,18,20).
What are the key properties of 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50959780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).