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

C16H23N5O2S — CID 22513542

IUPACN-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H23N5O2S/c22-13-8-4-10-21(13)16-19-18-15(24-16)20-9-3-7-12(20)14(23)17-11-5-1-2-6-11/h11-12H,1-10H2,(H,17,23)
InChIKeyWZKVORLTSZEGDY-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.69
Rot. Bonds4

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

N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22513542) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID22513542
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H23N5O2S/c22-13-8-4-10-21(13)16-19-18-15(24-16)20-9-3-7-12(20)14(23)17-11-5-1-2-6-11/h11-12H,1-10H2,(H,17,23)
InChIKeyWZKVORLTSZEGDY-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 22513542) is N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(NC1CCCC1)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is WZKVORLTSZEGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c22-13-8-4-10-21(13)16-19-18-15(24-16)20-9-3-7-12(20)14(23)17-11-5-1-2-6-11/h11-12H,1-10H2,(H,17,23).
What are the key properties of N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22513542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).