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

C18H30N6O2S — CID 20958123

IUPACN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C18H30N6O2S/c1-3-22(4-2)12-9-19-16(26)14-7-5-10-23(13-14)17-20-21-18(27-17)24-11-6-8-15(24)25/h14H,3-13H2,1-2H3,(H,19,26)
InChIKeyWOOCRTGDIOXFHQ-UHFFFAOYSA-N
MW394.55 g/mol
LogP1.34
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 20958123) has the molecular formula C18H30N6O2S and a molecular weight of 394.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID20958123
Molecular FormulaC18H30N6O2S
Molecular Weight394.55 g/mol
Exact Mass394.22
IUPAC NameN-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C18H30N6O2S/c1-3-22(4-2)12-9-19-16(26)14-7-5-10-23(13-14)17-20-21-18(27-17)24-11-6-8-15(24)25/h14H,3-13H2,1-2H3,(H,19,26)
InChIKeyWOOCRTGDIOXFHQ-UHFFFAOYSA-N
XLogP1.34
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 51.34
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]piperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 20958123) is N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CCN(CC)CCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is WOOCRTGDIOXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2S/c1-3-22(4-2)12-9-19-16(26)14-7-5-10-23(13-14)17-20-21-18(27-17)24-11-6-8-15(24)25/h14H,3-13H2,1-2H3,(H,19,26).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 394.55 g/mol, XLogP of 1.34, 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]piperidine-3-carboxamide is sourced from PubChem (CID 20958123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).