(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

C20H23N5O3S — CID 137332103

IUPAC(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
SMILESCC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
InChIKeyOKMNIGWEMMUEAF-OAHLLOKOSA-N
MW413.50 g/mol
LogP1.64
Rot. Bonds5

About (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide (PubChem CID 137332103) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
PubChem CID137332103
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
SMILESCC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
InChIKeyOKMNIGWEMMUEAF-OAHLLOKOSA-N
XLogP1.64
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide with MolForge

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Related Compounds

N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2109025
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(4-acetyl-1,3-thiazol-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26469493
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
(E)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 31171932
(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 124692825
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119755952
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide (CID 137332103) is (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide is CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1-c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide?
The InChIKey is OKMNIGWEMMUEAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide?
(2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-acetyl-5-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 137332103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).