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

C15H24N6O2S — CID 22513545

IUPACN-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H24N6O2S/c1-19(2)10-7-16-13(23)11-5-3-8-20(11)14-17-18-15(24-14)21-9-4-6-12(21)22/h11H,3-10H2,1-2H3,(H,16,23)
InChIKeyPFCQSVVAFFDCFG-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.31
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22513545) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID22513545
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H24N6O2S/c1-19(2)10-7-16-13(23)11-5-3-8-20(11)14-17-18-15(24-14)21-9-4-6-12(21)22/h11H,3-10H2,1-2H3,(H,16,23)
InChIKeyPFCQSVVAFFDCFG-UHFFFAOYSA-N
XLogP0.31
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 22513545) is N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CN(C)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is PFCQSVVAFFDCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-19(2)10-7-16-13(23)11-5-3-8-20(11)14-17-18-15(24-14)21-9-4-6-12(21)22/h11H,3-10H2,1-2H3,(H,16,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22513545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).