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

C19H19N3O2S — CID 3663502

IUPAC2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(14-6-4-3-5-7-14)20-18(23)17-12-25-19(22-17)21-15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyDJYQEGWBQVCPQD-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.39
Rot. Bonds6

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

2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3663502) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID3663502
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(14-6-4-3-5-7-14)20-18(23)17-12-25-19(22-17)21-15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22)
InChIKeyDJYQEGWBQVCPQD-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813617
N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813227
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2617504
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46113593
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (CID 3663502) is 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NC(C)c3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DJYQEGWBQVCPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(14-6-4-3-5-7-14)20-18(23)17-12-25-19(22-17)21-15-8-10-16(24-2)11-9-15/h3-13H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3663502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).