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

C17H17FN4O3S — CID 73338901

IUPACN-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3S/c18-10-3-5-11(6-4-10)20-14(23)8-12-9-26-17(21-12)22-16(25)13-2-1-7-19-15(13)24/h3-6,9,13H,1-2,7-8H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyJLAZSGGFWWOHNJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.93
Rot. Bonds5

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

N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (PubChem CID 73338901) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
PubChem CID73338901
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC NameN-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3S/c18-10-3-5-11(6-4-10)20-14(23)8-12-9-26-17(21-12)22-16(25)13-2-1-7-19-15(13)24/h3-6,9,13H,1-2,7-8H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyJLAZSGGFWWOHNJ-UHFFFAOYSA-N
XLogP1.93
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.93
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-(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]benzamide
CID 20930709
2-methylpropyl N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16884036
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568131
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 73339086

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide (CID 73338901) is N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is O=C(Cc1csc(NC(=O)C2CCCNC2=O)n1)Nc1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
The InChIKey is JLAZSGGFWWOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-10-3-5-11(6-4-10)20-14(23)8-12-9-26-17(21-12)22-16(25)13-2-1-7-19-15(13)24/h3-6,9,13H,1-2,7-8H2,(H,19,24)(H,20,23)(H,21,22,25).
What are the key properties of N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide?
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73338901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).