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

C16H25N5O2S — CID 20958135

IUPACN-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C16H25N5O2S/c1-11(2)9-17-14(23)12-5-3-7-20(10-12)15-18-19-16(24-15)21-8-4-6-13(21)22/h11-12H,3-10H2,1-2H3,(H,17,23)
InChIKeyZDNVLXUSCHGLTP-UHFFFAOYSA-N
MW351.48 g/mol
LogP1.65
Rot. Bonds5

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

N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 20958135) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID20958135
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC NameN-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C16H25N5O2S/c1-11(2)9-17-14(23)12-5-3-7-20(10-12)15-18-19-16(24-15)21-8-4-6-13(21)22/h11-12H,3-10H2,1-2H3,(H,17,23)
InChIKeyZDNVLXUSCHGLTP-UHFFFAOYSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 20958135) is N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is ZDNVLXUSCHGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-11(2)9-17-14(23)12-5-3-7-20(10-12)15-18-19-16(24-15)21-8-4-6-13(21)22/h11-12H,3-10H2,1-2H3,(H,17,23).
What are the key properties of N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 20958135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).