2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

C12H13N3O2S — CID 16954964

IUPAC2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(N)=O)cs2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-5-3-8(4-6-9)14-12-15-10(7-18-12)11(13)16/h3-7H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWKBJRTWNDCCQEX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16954964) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16954964
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(N)=O)cs2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-17-9-5-3-8(4-6-9)14-12-15-10(7-18-12)11(13)16/h3-7H,2H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWKBJRTWNDCCQEX-UHFFFAOYSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
2-{2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 646280
2-{2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 652258
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 1096805
5-ethyl-N-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 70689835
5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 70691989
2-(3-methoxyanilino)-5-methyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733048
N-(4-cyclopentyloxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 137635973
4-methyl-N-(4-propoxyphenyl)-1,3-thiazol-2-amine
CID 137648841

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16954964) is 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(N)=O)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is WKBJRTWNDCCQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-9-5-3-8(4-6-9)14-12-15-10(7-18-12)11(13)16/h3-7H,2H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).