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

C16H12N2O3S — CID 53390146

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h1-9,19-20H,(H,17,18,21)
InChIKeyPAXOEHHSHZYPGE-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.47
Rot. Bonds3

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

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 53390146) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID53390146
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h1-9,19-20H,(H,17,18,21)
InChIKeyPAXOEHHSHZYPGE-UHFFFAOYSA-N
XLogP3.47
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668613
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 4671588
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide;N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668612
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
CID 178070838
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 53390146) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccc1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PAXOEHHSHZYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-11-6-7-12(14(20)8-11)13-9-22-16(17-13)18-15(21)10-4-2-1-3-5-10/h1-9,19-20H,(H,17,18,21).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 312.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 53390146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).