2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide

C22H19N3O2S — CID 39117598

IUPAC2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)Nc3cnc4ccccc4c3)s2)cc1
InChIInChI=1S/C22H19N3O2S/c1-3-27-18-10-8-15(9-11-18)22-24-14(2)20(28-22)21(26)25-17-12-16-6-4-5-7-19(16)23-13-17/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyVKAQSPQTEWZBMQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.32
Rot. Bonds5

About 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 39117598) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID39117598
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)Nc3cnc4ccccc4c3)s2)cc1
InChIInChI=1S/C22H19N3O2S/c1-3-27-18-10-8-15(9-11-18)22-24-14(2)20(28-22)21(26)25-17-12-16-6-4-5-7-19(16)23-13-17/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyVKAQSPQTEWZBMQ-UHFFFAOYSA-N
XLogP5.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46547307
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-ethoxyphenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609741
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 71799752
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788224
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46481547
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide (CID 39117598) is 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)Nc3cnc4ccccc4c3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VKAQSPQTEWZBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-27-18-10-8-15(9-11-18)22-24-14(2)20(28-22)21(26)25-17-12-16-6-4-5-7-19(16)23-13-17/h4-13H,3H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39117598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).