4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol

C16H14N2O3S — CID 126613345

IUPAC4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOCc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C16H14N2O3S/c19-8-10-1-3-11(4-2-10)17-16-18-14(9-22-16)13-6-5-12(20)7-15(13)21/h1-7,9,19-21H,8H2,(H,17,18)
InChIKeyAEIASHXZYUDARQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.46
Rot. Bonds4

About 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 126613345) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID126613345
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOCc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C16H14N2O3S/c19-8-10-1-3-11(4-2-10)17-16-18-14(9-22-16)13-6-5-12(20)7-15(13)21/h1-7,9,19-21H,8H2,(H,17,18)
InChIKeyAEIASHXZYUDARQ-UHFFFAOYSA-N
XLogP3.46
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
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-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126627632
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
CID 71814305
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668613
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol (CID 126613345) is 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol is OCc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1.
What is the InChIKey of 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is AEIASHXZYUDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-8-10-1-3-11(4-2-10)17-16-18-14(9-22-16)13-6-5-12(20)7-15(13)21/h1-7,9,19-21H,8H2,(H,17,18).
What are the key properties of 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 314.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 126613345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).