N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

C20H21N3O2S — CID 16954928

IUPACN-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-25-17-7-5-15(6-8-17)22-20-23-18(12-26-20)19(24)21-16-10-13(2)9-14(3)11-16/h5-12H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMKOWTGUZDAUBGL-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.15
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16954928) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16954928
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-4-25-17-7-5-15(6-8-17)22-20-23-18(12-26-20)19(24)21-16-10-13(2)9-14(3)11-16/h5-12H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMKOWTGUZDAUBGL-UHFFFAOYSA-N
XLogP5.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849126
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954988
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16954928) is N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)Nc3cc(C)cc(C)c3)cs2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is MKOWTGUZDAUBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-25-17-7-5-15(6-8-17)22-20-23-18(12-26-20)19(24)21-16-10-13(2)9-14(3)11-16/h5-12H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).