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

C18H15FN2O2S — CID 71728802

IUPACN-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(C(O)Cc2ccccc2)n1
InChIInChI=1S/C18H15FN2O2S/c19-13-6-8-14(9-7-13)20-17(23)15-11-24-18(21-15)16(22)10-12-4-2-1-3-5-12/h1-9,11,16,22H,10H2,(H,20,23)
InChIKeyXGSFANKWCPMDSD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.81
Rot. Bonds5

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

N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 71728802) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID71728802
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1csc(C(O)Cc2ccccc2)n1
InChIInChI=1S/C18H15FN2O2S/c19-13-6-8-14(9-7-13)20-17(23)15-11-24-18(21-15)16(22)10-12-4-2-1-3-5-12/h1-9,11,16,22H,10H2,(H,20,23)
InChIKeyXGSFANKWCPMDSD-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3801274
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155561650
N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948969
2-[[bis[(4-fluorophenyl)methyl]amino]methyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 1032477
2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 171836514
2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 2743991
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155557536
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-(1-aminopropyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 3745790
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 18319720

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 71728802) is N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)cc1)c1csc(C(O)Cc2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XGSFANKWCPMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-13-6-8-14(9-7-13)20-17(23)15-11-24-18(21-15)16(22)10-12-4-2-1-3-5-12/h1-9,11,16,22H,10H2,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71728802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).