2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide

C21H23N3O2S — CID 11989886

IUPAC2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1sc(Nc2ccccc2OC)nc1C)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-16(15-10-6-5-7-11-15)23-20(25)19-14(2)22-21(27-19)24-17-12-8-9-13-18(17)26-3/h5-13,16H,4H2,1-3H3,(H,22,24)(H,23,25)/t16-/m0/s1
InChIKeyCBBPHHSUAAGUJK-INIZCTEOSA-N
MW381.50 g/mol
LogP5.08
Rot. Bonds7

About 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide

2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide (PubChem CID 11989886) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
PubChem CID11989886
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1sc(Nc2ccccc2OC)nc1C)c1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-4-16(15-10-6-5-7-11-15)23-20(25)19-14(2)22-21(27-19)24-17-12-8-9-13-18(17)26-3/h5-13,16H,4H2,1-3H3,(H,22,24)(H,23,25)/t16-/m0/s1
InChIKeyCBBPHHSUAAGUJK-INIZCTEOSA-N
XLogP5.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylic acid;N-[(2-methylphenyl)methyl]thiohydroxylamine
CID 87748302
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 59729242
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide (CID 11989886) is 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide is CC[C@H](NC(=O)c1sc(Nc2ccccc2OC)nc1C)c1ccccc1.
What is the InChIKey of 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CBBPHHSUAAGUJK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-4-16(15-10-6-5-7-11-15)23-20(25)19-14(2)22-21(27-19)24-17-12-8-9-13-18(17)26-3/h5-13,16H,4H2,1-3H3,(H,22,24)(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide?
2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-methyl-N-[(1S)-1-phenylpropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11989886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).