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

C14H21N5O2S — CID 22513552

IUPAC1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H21N5O2S/c1-9(2)15-12(21)10-5-3-7-18(10)13-16-17-14(22-13)19-8-4-6-11(19)20/h9-10H,3-8H2,1-2H3,(H,15,21)
InChIKeyQVRJEWKDNIHLJL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.16
Rot. Bonds4

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

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 22513552) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID22513552
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C14H21N5O2S/c1-9(2)15-12(21)10-5-3-7-18(10)13-16-17-14(22-13)19-8-4-6-11(19)20/h9-10H,3-8H2,1-2H3,(H,15,21)
InChIKeyQVRJEWKDNIHLJL-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 22513552) is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QVRJEWKDNIHLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-9(2)15-12(21)10-5-3-7-18(10)13-16-17-14(22-13)19-8-4-6-11(19)20/h9-10H,3-8H2,1-2H3,(H,15,21).
What are the key properties of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22513552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).