5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol

C11H12N2O2S — CID 107706770

IUPAC5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H12N2O2S/c1-7(13-11-12-2-3-16-11)8-4-9(14)6-10(15)5-8/h2-7,14-15H,1H3,(H,12,13)
InChIKeyOAKCJLNIEZDQOV-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.73
Rot. Bonds3

About 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol

5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol (PubChem CID 107706770) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
PubChem CID107706770
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C11H12N2O2S/c1-7(13-11-12-2-3-16-11)8-4-9(14)6-10(15)5-8/h2-7,14-15H,1H3,(H,12,13)
InChIKeyOAKCJLNIEZDQOV-UHFFFAOYSA-N
XLogP2.73
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
CID 79047589
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 112731172
N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107706967
4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
CID 107648836
N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
CID 79046980

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol (CID 107706770) is 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol is CC(Nc1nccs1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol?
The InChIKey is OAKCJLNIEZDQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(13-11-12-2-3-16-11)8-4-9(14)6-10(15)5-8/h2-7,14-15H,1H3,(H,12,13).
What are the key properties of 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol?
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol has a molecular weight of 236.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).