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

C20H34N6O2S — CID 92710753

IUPAC(3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCCCN(CCC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C20H34N6O2S/c1-3-10-24(11-4-2)14-9-21-18(28)16-7-5-12-25(15-16)19-22-23-20(29-19)26-13-6-8-17(26)27/h16H,3-15H2,1-2H3,(H,21,28)/t16-/m0/s1
InChIKeyMEBKPRJPKFSJCR-INIZCTEOSA-N
MW422.60 g/mol
LogP2.12
Rot. Bonds10

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

(3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 92710753) has the molecular formula C20H34N6O2S and a molecular weight of 422.60 g/mol. Its IUPAC name is (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID92710753
Molecular FormulaC20H34N6O2S
Molecular Weight422.60 g/mol
Exact Mass422.25
IUPAC Name(3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCCCN(CCC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1
InChIInChI=1S/C20H34N6O2S/c1-3-10-24(11-4-2)14-9-21-18(28)16-7-5-12-25(15-16)19-22-23-20(29-19)26-13-6-8-17(26)27/h16H,3-15H2,1-2H3,(H,21,28)/t16-/m0/s1
InChIKeyMEBKPRJPKFSJCR-INIZCTEOSA-N
XLogP2.12
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 92710753) is (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CCCN(CCC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1.
What is the InChIKey of (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is MEBKPRJPKFSJCR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H34N6O2S/c1-3-10-24(11-4-2)14-9-21-18(28)16-7-5-12-25(15-16)19-22-23-20(29-19)26-13-6-8-17(26)27/h16H,3-15H2,1-2H3,(H,21,28)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
(3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 422.60 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(dipropylamino)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92710753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).