N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide

C17H14N2O4S — CID 71537811

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccc(CO)cc1
InChIInChI=1S/C17H14N2O4S/c20-8-10-1-3-11(4-2-10)16(23)19-17-18-14(9-24-17)13-6-5-12(21)7-15(13)22/h1-7,9,20-22H,8H2,(H,18,19,23)
InChIKeyVFSMHHKHPYWSIO-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.97
Rot. Bonds4

About N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide (PubChem CID 71537811) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
PubChem CID71537811
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccc(CO)cc1
InChIInChI=1S/C17H14N2O4S/c20-8-10-1-3-11(4-2-10)16(23)19-17-18-14(9-24-17)13-6-5-12(21)7-15(13)22/h1-7,9,20-22H,8H2,(H,18,19,23)
InChIKeyVFSMHHKHPYWSIO-UHFFFAOYSA-N
XLogP2.97
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 4797121
2-hydroxy-3-methyl-N-(4-phenylthiazol-2-yl)benzamide
CID 53309542
2-Hydroxy-5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzamide
CID 7529090
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705545
(E)-N-(4-mesitylthiazol-2(3H)-ylidene)-2,4-dimethoxybenzamide
CID 4330637
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 71543006
N-(4-(2,4-Dihydroxyphenyl)thiazol-2-yl)acetamide
CID 71543104

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide (CID 71537811) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide is O=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccc(CO)cc1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is VFSMHHKHPYWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-8-10-1-3-11(4-2-10)16(23)19-17-18-14(9-24-17)13-6-5-12(21)7-15(13)22/h1-7,9,20-22H,8H2,(H,18,19,23).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 71537811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).