2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol

C8H13NO2S — CID 130604796

IUPAC2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
SMILESCc1cc(C(O)C(C)(C)O)sn1
InChIInChI=1S/C8H13NO2S/c1-5-4-6(12-9-5)7(10)8(2,3)11/h4,7,10-11H,1-3H3
InChIKeyVXPPFLOASFLRLS-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.26
Rot. Bonds2

About 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol

2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol (PubChem CID 130604796) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
PubChem CID130604796
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
SMILESCc1cc(C(O)C(C)(C)O)sn1
InChIInChI=1S/C8H13NO2S/c1-5-4-6(12-9-5)7(10)8(2,3)11/h4,7,10-11H,1-3H3
InChIKeyVXPPFLOASFLRLS-UHFFFAOYSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol?
The IUPAC name of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol (CID 130604796) is 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol?
The canonical SMILES for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol is Cc1cc(C(O)C(C)(C)O)sn1.
What is the InChIKey of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol?
The InChIKey is VXPPFLOASFLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-5-4-6(12-9-5)7(10)8(2,3)11/h4,7,10-11H,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol?
2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol has a molecular weight of 187.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 130604796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).