N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C17H14N2O2S — CID 1081281

IUPACN-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cs1
InChIInChI=1S/C17H14N2O2S/c1-11-18-16(10-22-11)12-2-4-13(5-3-12)17(21)19-14-6-8-15(20)9-7-14/h2-10,20H,1H3,(H,19,21)
InChIKeyRHMCYIDKLJXDDG-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.08
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 1081281) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID1081281
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cs1
InChIInChI=1S/C17H14N2O2S/c1-11-18-16(10-22-11)12-2-4-13(5-3-12)17(21)19-14-6-8-15(20)9-7-14/h2-10,20H,1H3,(H,19,21)
InChIKeyRHMCYIDKLJXDDG-UHFFFAOYSA-N
XLogP4.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 1081281) is N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccc(O)cc3)cc2)cs1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is RHMCYIDKLJXDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-18-16(10-22-11)12-2-4-13(5-3-12)17(21)19-14-6-8-15(20)9-7-14/h2-10,20H,1H3,(H,19,21).
What are the key properties of N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 310.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 1081281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).