2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide

C19H17F3N2O2S — CID 136633402

IUPAC2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(c2ccc(O)cc2)SC1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2S/c1-11-16(27-18(24-11)13-4-8-15(25)9-5-13)17(26)23-10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16,25H,10H2,1H3,(H,23,26)
InChIKeyTUIYDRWGVDRBRV-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide

2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 136633402) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID136633402
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCC1N=C(c2ccc(O)cc2)SC1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2S/c1-11-16(27-18(24-11)13-4-8-15(25)9-5-13)17(26)23-10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16,25H,10H2,1H3,(H,23,26)
InChIKeyTUIYDRWGVDRBRV-UHFFFAOYSA-N
XLogP3.98
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
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CID 144998983
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 136633402) is 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide is CC1N=C(c2ccc(O)cc2)SC1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is TUIYDRWGVDRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-11-16(27-18(24-11)13-4-8-15(25)9-5-13)17(26)23-10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16,25H,10H2,1H3,(H,23,26).
What are the key properties of 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide?
2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136633402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).