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

C20H21N3O2S — CID 16954861

IUPAC2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-25-17-11-9-16(10-12-17)22-20-23-18(13-26-20)19(24)21-14(2)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYGMGJHIZTGKSQA-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.78
Rot. Bonds7

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

2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16954861) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID16954861
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-3-25-17-11-9-16(10-12-17)22-20-23-18(13-26-20)19(24)21-14(2)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYGMGJHIZTGKSQA-UHFFFAOYSA-N
XLogP4.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46113593
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (CID 16954861) is 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGMGJHIZTGKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-25-17-11-9-16(10-12-17)22-20-23-18(13-26-20)19(24)21-14(2)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).