N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid

C21H21N3O5S — CID 2959445

IUPACN-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid
SMILESCCc1ccccc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1.O=C(O)C(=O)O
InChIInChI=1S/C19H19N3OS.C2H2O4/c1-3-14-7-4-5-10-17(14)21-19-22-18(12-24-19)15-8-6-9-16(11-15)20-13(2)23;3-1(4)2(5)6/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22);(H,3,4)(H,5,6)
InChIKeyIAQWOOAIMBXZSR-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.23
Rot. Bonds5

About N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid

N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid (PubChem CID 2959445) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid
PubChem CID2959445
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid
SMILESCCc1ccccc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1.O=C(O)C(=O)O
InChIInChI=1S/C19H19N3OS.C2H2O4/c1-3-14-7-4-5-10-17(14)21-19-22-18(12-24-19)15-8-6-9-16(11-15)20-13(2)23;3-1(4)2(5)6/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22);(H,3,4)(H,5,6)
InChIKeyIAQWOOAIMBXZSR-UHFFFAOYSA-N
XLogP4.23
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
tert-butyl N-[3-[2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-1,3-thiazol-4-yl]phenyl]carbamate
CID 73349131
ethyl N-[3-[2-[[7-(hydroxyamino)-7-oxoheptanoyl]amino]-1,3-thiazol-4-yl]phenyl]carbamate
CID 155530597
tert-butyl N-[3-[2-[[7-(hydroxyamino)-7-oxoheptanoyl]amino]-1,3-thiazol-4-yl]phenyl]carbamate
CID 155554844
N-[3-(2-Amino-4-thiazolyl)phenyl]acetamide
CID 2215374
N-{3-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenyl}-acetamide
CID 972725
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092449
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-N-(4-phenylthiazol-2-yl)acetamide
CID 2158826
N-[4-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 2554360
N-[3-(4-Methylphenyl)-4-phenyl-1,3-thiazol-2(3H)-ylidene]-1-oxoethanaminium bromide
CID 2833346

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid?
The IUPAC name of N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid (CID 2959445) is N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid.
What is the SMILES notation for N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid?
The canonical SMILES for N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid is CCc1ccccc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid?
The InChIKey is IAQWOOAIMBXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS.C2H2O4/c1-3-14-7-4-5-10-17(14)21-19-22-18(12-24-19)15-8-6-9-16(11-15)20-13(2)23;3-1(4)2(5)6/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22);(H,3,4)(H,5,6).
What are the key properties of N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid?
N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid has a molecular weight of 427.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-ethylanilino)-1,3-thiazol-4-yl]phenyl]acetamide;oxalic acid is sourced from PubChem (CID 2959445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).