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

C18H15FN2O2S — CID 136633397

IUPACN-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-16(17(23)20-10-12-2-6-14(19)7-3-12)24-18(21-11)13-4-8-15(22)9-5-13/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeyCFLDAAXPAGKRRH-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 136633397) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID136633397
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S/c1-11-16(17(23)20-10-12-2-6-14(19)7-3-12)24-18(21-11)13-4-8-15(22)9-5-13/h2-9,22H,10H2,1H3,(H,20,23)
InChIKeyCFLDAAXPAGKRRH-UHFFFAOYSA-N
XLogP3.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 136633397) is N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CFLDAAXPAGKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11-16(17(23)20-10-12-2-6-14(19)7-3-12)24-18(21-11)13-4-8-15(22)9-5-13/h2-9,22H,10H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136633397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).