1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol

C7H11NO2S — CID 123461234

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol
SMILESCc1nc(C(O)CO)c(C)s1
InChIInChI=1S/C7H11NO2S/c1-4-7(6(10)3-9)8-5(2)11-4/h6,9-10H,3H2,1-2H3
InChIKeyCGZYOSZRCPANFK-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.79
Rot. Bonds2

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol

1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol (PubChem CID 123461234) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol
PubChem CID123461234
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol
SMILESCc1nc(C(O)CO)c(C)s1
InChIInChI=1S/C7H11NO2S/c1-4-7(6(10)3-9)8-5(2)11-4/h6,9-10H,3H2,1-2H3
InChIKeyCGZYOSZRCPANFK-UHFFFAOYSA-N
XLogP0.79
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol (CID 123461234) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol is Cc1nc(C(O)CO)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol?
The InChIKey is CGZYOSZRCPANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-4-7(6(10)3-9)8-5(2)11-4/h6,9-10H,3H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol?
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol has a molecular weight of 173.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethane-1,2-diol is sourced from PubChem (CID 123461234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).