4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol

C9H8N2O2S — CID 767450

IUPAC4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
SMILESNc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C9H8N2O2S/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13/h1-4,12-13H,(H2,10,11)
InChIKeyJWBRZKPADMMQTN-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.80
Rot. Bonds1

About 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol

4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol (PubChem CID 767450) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
PubChem CID767450
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol
SMILESNc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C9H8N2O2S/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13/h1-4,12-13H,(H2,10,11)
InChIKeyJWBRZKPADMMQTN-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,2-diol
CID 762762
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 751911
Ethanone, 1-(2,4-dihydroxyphenyl)-2-4-thiazolyl-, oxime
CID 135415508
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 2175556
N-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10522547
Benzene-1,2-diol, 4-(2-guanidinothiazol-4-yl)-
CID 536278
Allyl-[4-(2,4-dimethoxy-phenyl)-thiazol-2-yl]-amine
CID 6603188

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol (CID 767450) is 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol is Nc1nc(-c2ccc(O)cc2O)cs1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol?
The InChIKey is JWBRZKPADMMQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-9-11-7(4-14-9)6-2-1-5(12)3-8(6)13/h1-4,12-13H,(H2,10,11).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol?
4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol has a molecular weight of 208.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)benzene-1,3-diol is sourced from PubChem (CID 767450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).