N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide

C18H20N4O3S — CID 73338882

IUPACN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1ccccc1
InChIInChI=1S/C18H20N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h1-3,5-6,11,14H,4,7-10H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyRTKAOUHATQKRPB-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.47
Rot. Bonds6

About N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide

N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (PubChem CID 73338882) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
PubChem CID73338882
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1ccccc1
InChIInChI=1S/C18H20N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h1-3,5-6,11,14H,4,7-10H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyRTKAOUHATQKRPB-UHFFFAOYSA-N
XLogP1.47
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338936
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338901
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 1030995
N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 45497594
N-[2-[[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1023878
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881455
(2S)-N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590169
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (CID 73338882) is N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is O=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1ccccc1.
What is the InChIKey of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The InChIKey is RTKAOUHATQKRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h1-3,5-6,11,14H,4,7-10H2,(H,19,24)(H,20,23)(H,21,22,25).
What are the key properties of N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73338882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).