N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide

C18H18F2N4O3S — CID 73338936

IUPACN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O3S/c19-13-4-1-5-14(20)12(13)8-22-15(25)7-10-9-28-18(23-10)24-17(27)11-3-2-6-21-16(11)26/h1,4-5,9,11H,2-3,6-8H2,(H,21,26)(H,22,25)(H,23,24,27)
InChIKeyKKRWUGLICZVJFT-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.74
Rot. Bonds6

About N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (PubChem CID 73338936) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
PubChem CID73338936
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O3S/c19-13-4-1-5-14(20)12(13)8-22-15(25)7-10-9-28-18(23-10)24-17(27)11-3-2-6-21-16(11)26/h1,4-5,9,11H,2-3,6-8H2,(H,21,26)(H,22,25)(H,23,24,27)
InChIKeyKKRWUGLICZVJFT-UHFFFAOYSA-N
XLogP1.74
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.74
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-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338882
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338901
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 45497594
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
N-[4-[2-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 56576567
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568277
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 1031029

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (CID 73338936) is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is O=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)NCc1c(F)cccc1F.
What is the InChIKey of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The InChIKey is KKRWUGLICZVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c19-13-4-1-5-14(20)12(13)8-22-15(25)7-10-9-28-18(23-10)24-17(27)11-3-2-6-21-16(11)26/h1,4-5,9,11H,2-3,6-8H2,(H,21,26)(H,22,25)(H,23,24,27).
What are the key properties of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73338936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).