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

C15H23N5O2S — CID 22513539

IUPACN-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H23N5O2S/c1-3-10(2)16-13(22)11-6-4-8-19(11)14-17-18-15(23-14)20-9-5-7-12(20)21/h10-11H,3-9H2,1-2H3,(H,16,22)
InChIKeyVZNKROWCWLJJAB-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.55
Rot. Bonds5

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

N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22513539) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID22513539
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H23N5O2S/c1-3-10(2)16-13(22)11-6-4-8-19(11)14-17-18-15(23-14)20-9-5-7-12(20)21/h10-11H,3-9H2,1-2H3,(H,16,22)
InChIKeyVZNKROWCWLJJAB-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 22513539) is N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is VZNKROWCWLJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-3-10(2)16-13(22)11-6-4-8-19(11)14-17-18-15(23-14)20-9-5-7-12(20)21/h10-11H,3-9H2,1-2H3,(H,16,22).
What are the key properties of N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22513539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).