2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

C20H20N4O3S — CID 73338898

IUPAC2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)Cc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-12(2)13-5-7-14(8-6-13)22-17(25)10-15-11-28-20(23-15)24-19(27)16-4-3-9-21-18(16)26/h3-9,11-12,16H,10H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyLFROOFBUYCZTMV-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.17
Rot. Bonds6

About 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (PubChem CID 73338898) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
PubChem CID73338898
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)Cc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-12(2)13-5-7-14(8-6-13)22-17(25)10-15-11-28-20(23-15)24-19(27)16-4-3-9-21-18(16)26/h3-9,11-12,16H,10H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyLFROOFBUYCZTMV-UHFFFAOYSA-N
XLogP3.17
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74526973
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
6-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 16881648
N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74597654
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75120103
2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154963
methyl 2-[2-(4-propan-2-ylanilino)-1,3-thiazol-4-yl]acetate
CID 112724647
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
2-oxo-N-[4-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75118812

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (CID 73338898) is 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)C3C=CC=NC3=O)n2)cc1.
What is the InChIKey of 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The InChIKey is LFROOFBUYCZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12(2)13-5-7-14(8-6-13)22-17(25)10-15-11-28-20(23-15)24-19(27)16-4-3-9-21-18(16)26/h3-9,11-12,16H,10H2,1-2H3,(H,22,25)(H,23,24,27).
What are the key properties of 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is sourced from PubChem (CID 73338898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).