4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride

C19H15ClN2O2S — CID 23724291

IUPAC4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride
SMILESCl.Oc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1O
InChIInChI=1S/C19H14N2O2S.ClH/c22-17-9-8-13(10-18(17)23)16-11-24-19(21-16)20-15-7-3-5-12-4-1-2-6-14(12)15;/h1-11,22-23H,(H,20,21);1H
InChIKeyUBJSGMXYKDIPSE-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.54
Rot. Bonds3

About 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride

4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride (PubChem CID 23724291) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride
PubChem CID23724291
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride
SMILESCl.Oc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1O
InChIInChI=1S/C19H14N2O2S.ClH/c22-17-9-8-13(10-18(17)23)16-11-24-19(21-16)20-15-7-3-5-12-4-1-2-6-14(12)15;/h1-11,22-23H,(H,20,21);1H
InChIKeyUBJSGMXYKDIPSE-UHFFFAOYSA-N
XLogP5.54
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
4-[[4-(3,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 751859
4-{2-[(4-Hydroxyphenyl)amino]-1,3-thiazol-4-yl}phenol
CID 972292
4-((4-(2-Naphthyl)-1,3-thiazol-2-yl)amino)phenol
CID 973124
4-(3,4-dimethoxyphenyl)-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 51002786
3-(2-(4-Hydroxyphenylamino)thiazol-4-yl)phenol
CID 46865782
2-Benzyl-1-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 49860979
4-{[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]amino}phenol hydrobromide
CID 877520
4-[2-(Benzylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 1075900
4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 5190983

Frequently Asked Questions

What is the IUPAC name of 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride?
The IUPAC name of 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride (CID 23724291) is 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride?
The canonical SMILES for 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride is Cl.Oc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1O.
What is the InChIKey of 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride?
The InChIKey is UBJSGMXYKDIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S.ClH/c22-17-9-8-13(10-18(17)23)16-11-24-19(21-16)20-15-7-3-5-12-4-1-2-6-14(12)15;/h1-11,22-23H,(H,20,21);1H.
What are the key properties of 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride?
4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride has a molecular weight of 370.86 g/mol, XLogP of 5.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 23724291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).