1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol

C8H13NO3S — CID 130748198

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
SMILESCOc1cc(C(O)C(C)(C)O)sn1
InChIInChI=1S/C8H13NO3S/c1-8(2,11)7(10)5-4-6(12-3)9-13-5/h4,7,10-11H,1-3H3
InChIKeyBCJRDXFXMQJKNE-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.96
Rot. Bonds3

About 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol

1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol (PubChem CID 130748198) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
PubChem CID130748198
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
SMILESCOc1cc(C(O)C(C)(C)O)sn1
InChIInChI=1S/C8H13NO3S/c1-8(2,11)7(10)5-4-6(12-3)9-13-5/h4,7,10-11H,1-3H3
InChIKeyBCJRDXFXMQJKNE-UHFFFAOYSA-N
XLogP0.96
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol (CID 130748198) is 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol is COc1cc(C(O)C(C)(C)O)sn1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol?
The InChIKey is BCJRDXFXMQJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2,11)7(10)5-4-6(12-3)9-13-5/h4,7,10-11H,1-3H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol?
1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol has a molecular weight of 203.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol is sourced from PubChem (CID 130748198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).