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

C20H21N3O2S — CID 53152832

IUPAC2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C20H21N3O2S/c1-4-25-17-8-6-5-7-16(17)23-20-21-14(3)18(26-20)19(24)22-15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCYCCUAZXHBSIGS-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.15
Rot. Bonds6

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

2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 53152832) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID53152832
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C20H21N3O2S/c1-4-25-17-8-6-5-7-16(17)23-20-21-14(3)18(26-20)19(24)22-15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCYCCUAZXHBSIGS-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

2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
N-(2-ethylphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142209
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 53152832) is 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(C)cc2)s1.
What is the InChIKey of 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CYCCUAZXHBSIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-4-25-17-8-6-5-7-16(17)23-20-21-14(3)18(26-20)19(24)22-15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-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 2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).