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

C20H20N4O5S — CID 59453488

IUPAC2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Nc3ccc(OCCO)cc3)nc2C(N)=O)cc1
InChIInChI=1S/C20H20N4O5S/c1-28-14-6-2-12(3-7-14)18(27)24-19-16(17(21)26)23-20(30-19)22-13-4-8-15(9-5-13)29-11-10-25/h2-9,25H,10-11H2,1H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeySGRUWGNTAXMSOF-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.62
Rot. Bonds9

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

2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 59453488) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID59453488
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Nc3ccc(OCCO)cc3)nc2C(N)=O)cc1
InChIInChI=1S/C20H20N4O5S/c1-28-14-6-2-12(3-7-14)18(27)24-19-16(17(21)26)23-20(30-19)22-13-4-8-15(9-5-13)29-11-10-25/h2-9,25H,10-11H2,1H3,(H2,21,26)(H,22,23)(H,24,27)
InChIKeySGRUWGNTAXMSOF-UHFFFAOYSA-N
XLogP2.62
TPSA135.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-[2-(dimethylamino)ethoxy]benzoyl]amino]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 59453501
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
2-(4-ethenylanilino)-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 59453545
2-(4-methoxyanilino)-5-[(3-methyl-4-nitrobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46896538
[4-[[4-carbamoyl-2-(4-methoxyanilino)-1,3-thiazol-5-yl]carbamoyl]-N-methylsulfonylanilino]methanesulfinate
CID 175269564
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 53039091
5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062334
4-[(2-hydroxyacetyl)amino]-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87520516

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 59453488) is 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2sc(Nc3ccc(OCCO)cc3)nc2C(N)=O)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is SGRUWGNTAXMSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-28-14-6-2-12(3-7-14)18(27)24-19-16(17(21)26)23-20(30-19)22-13-4-8-15(9-5-13)29-11-10-25/h2-9,25H,10-11H2,1H3,(H2,21,26)(H,22,23)(H,24,27).
What are the key properties of 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)anilino]-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59453488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).