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

C18H19N5O4S — CID 73339086

IUPACN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)NC3)n2)cc1
InChIInChI=1S/C18H19N5O4S/c19-16(26)10-1-4-12(5-2-10)21-15(25)7-13-9-28-18(22-13)23-17(27)11-3-6-14(24)20-8-11/h1-2,4-5,9,11H,3,6-8H2,(H2,19,26)(H,20,24)(H,21,25)(H,22,23,27)
InChIKeyOLLJRWADVIUBSL-UHFFFAOYSA-N
MW401.45 g/mol
LogP0.89
Rot. Bonds6

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

N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 73339086) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID73339086
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)NC3)n2)cc1
InChIInChI=1S/C18H19N5O4S/c19-16(26)10-1-4-12(5-2-10)21-15(25)7-13-9-28-18(22-13)23-17(27)11-3-6-14(24)20-8-11/h1-2,4-5,9,11H,3,6-8H2,(H2,19,26)(H,20,24)(H,21,25)(H,22,23,27)
InChIKeyOLLJRWADVIUBSL-UHFFFAOYSA-N
XLogP0.89
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
N-[4-[2-(3-acetamidoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881480
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338901
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 97063717
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (CID 73339086) is N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)C3CCC(=O)NC3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is OLLJRWADVIUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c19-16(26)10-1-4-12(5-2-10)21-15(25)7-13-9-28-18(22-13)23-17(27)11-3-6-14(24)20-8-11/h1-2,4-5,9,11H,3,6-8H2,(H2,19,26)(H,20,24)(H,21,25)(H,22,23,27).
What are the key properties of N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 73339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).