2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C20H18N4O3S — CID 59453545

IUPAC2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESC=Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C20H18N4O3S/c1-3-12-4-8-14(9-5-12)22-20-23-16(17(21)25)19(28-20)24-18(26)13-6-10-15(27-2)11-7-13/h3-11H,1H2,2H3,(H2,21,25)(H,22,23)(H,24,26)
InChIKeyKIXOLTOILAVHRJ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.89
Rot. Bonds7

About 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 59453545) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID59453545
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESC=Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C20H18N4O3S/c1-3-12-4-8-14(9-5-12)22-20-23-16(17(21)25)19(28-20)24-18(26)13-6-10-15(27-2)11-7-13/h3-11H,1H2,2H3,(H2,21,25)(H,22,23)(H,24,26)
InChIKeyKIXOLTOILAVHRJ-UHFFFAOYSA-N
XLogP3.89
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453488
5-[[4-[2-(dimethylamino)ethoxy]benzoyl]amino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 59453501
2-(4-methoxyanilino)-5-[(3-methyl-4-nitrobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46896538
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
[4-[[4-carbamoyl-2-(4-methoxyanilino)-1,3-thiazol-5-yl]carbamoyl]-N-methylsulfonylanilino]methanesulfinate
CID 175269564
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
CID 118067696
5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 53039091
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 59453545) is 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is C=Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is KIXOLTOILAVHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-12-4-8-14(9-5-12)22-20-23-16(17(21)25)19(28-20)24-18(26)13-6-10-15(27-2)11-7-13/h3-11H,1H2,2H3,(H2,21,25)(H,22,23)(H,24,26).
What are the key properties of 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59453545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).