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

C12H14N2O2S — CID 107706299

IUPAC5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCc1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H14N2O2S/c1-8(14-7-12-13-2-3-17-12)9-4-10(15)6-11(16)5-9/h2-6,8,14-16H,7H2,1H3
InChIKeyFMBUXEQNWYHYIN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.41
Rot. Bonds4

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

5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol (PubChem CID 107706299) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
PubChem CID107706299
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
SMILESCC(NCc1nccs1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H14N2O2S/c1-8(14-7-12-13-2-3-17-12)9-4-10(15)6-11(16)5-9/h2-6,8,14-16H,7H2,1H3
InChIKeyFMBUXEQNWYHYIN-UHFFFAOYSA-N
XLogP2.41
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
CID 110928652
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
5-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706626
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol (CID 107706299) is 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol is CC(NCc1nccs1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol?
The InChIKey is FMBUXEQNWYHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(14-7-12-13-2-3-17-12)9-4-10(15)6-11(16)5-9/h2-6,8,14-16H,7H2,1H3.
What are the key properties of 5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol?
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol has a molecular weight of 250.32 g/mol, XLogP of 2.41, 4 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-ylmethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).