2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C22H25N3O2S — CID 95394541

IUPAC2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)s1
InChIInChI=1S/C22H25N3O2S/c1-5-16-8-6-7-9-19(16)25-22-24-15(3)20(28-22)21(26)23-14(2)17-10-12-18(27-4)13-11-17/h6-14H,5H2,1-4H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyJKUUMLUDDHYPJR-AWEZNQCLSA-N
MW395.53 g/mol
LogP5.26
Rot. Bonds7

About 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 95394541) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID95394541
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)s1
InChIInChI=1S/C22H25N3O2S/c1-5-16-8-6-7-9-19(16)25-22-24-15(3)20(28-22)21(26)23-14(2)17-10-12-18(27-4)13-11-17/h6-14H,5H2,1-4H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyJKUUMLUDDHYPJR-AWEZNQCLSA-N
XLogP5.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylanilino)-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365490
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
CID 11989886
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365629
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
N-(3,4-difluorophenyl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845488
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 95394541) is 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)s1.
What is the InChIKey of 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JKUUMLUDDHYPJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-5-16-8-6-7-9-19(16)25-22-24-15(3)20(28-22)21(26)23-14(2)17-10-12-18(27-4)13-11-17/h6-14H,5H2,1-4H3,(H,23,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95394541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).