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

C7H11NO3S — CID 126999965

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol
SMILESCOc1cc(C(O)C(C)O)sn1
InChIInChI=1S/C7H11NO3S/c1-4(9)7(10)5-3-6(11-2)8-12-5/h3-4,7,9-10H,1-2H3
InChIKeyQBSYFVCBIPYAFI-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.57
Rot. Bonds3

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

1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol (PubChem CID 126999965) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol
PubChem CID126999965
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol
SMILESCOc1cc(C(O)C(C)O)sn1
InChIInChI=1S/C7H11NO3S/c1-4(9)7(10)5-3-6(11-2)8-12-5/h3-4,7,9-10H,1-2H3
InChIKeyQBSYFVCBIPYAFI-UHFFFAOYSA-N
XLogP0.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.57
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)propane-1,2-diol?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol (CID 126999965) is 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol is COc1cc(C(O)C(C)O)sn1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol?
The InChIKey is QBSYFVCBIPYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-4(9)7(10)5-3-6(11-2)8-12-5/h3-4,7,9-10H,1-2H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol?
1-(3-methoxy-1,2-thiazol-5-yl)propane-1,2-diol has a molecular weight of 189.24 g/mol, XLogP of 0.57, 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)propane-1,2-diol is sourced from PubChem (CID 126999965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).