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

C17H28N6O2S — CID 22513554

IUPACN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C17H28N6O2S/c1-3-21(4-2)12-9-18-15(25)13-7-5-10-22(13)16-19-20-17(26-16)23-11-6-8-14(23)24/h13H,3-12H2,1-2H3,(H,18,25)
InChIKeyFMXXXPLOAMHITI-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.09
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 22513554) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID22513554
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC NameN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C17H28N6O2S/c1-3-21(4-2)12-9-18-15(25)13-7-5-10-22(13)16-19-20-17(26-16)23-11-6-8-14(23)24/h13H,3-12H2,1-2H3,(H,18,25)
InChIKeyFMXXXPLOAMHITI-UHFFFAOYSA-N
XLogP1.09
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 22513554) is N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is CCN(CC)CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FMXXXPLOAMHITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-3-21(4-2)12-9-18-15(25)13-7-5-10-22(13)16-19-20-17(26-16)23-11-6-8-14(23)24/h13H,3-12H2,1-2H3,(H,18,25).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22513554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).