(3-methoxy-1,2-thiazol-5-yl)methanol

C5H7NO2S — CID 10630638

IUPAC(3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1cc(CO)sn1
InChIInChI=1S/C5H7NO2S/c1-8-5-2-4(3-7)9-6-5/h2,7H,3H2,1H3
InChIKeyYHVIGIWXHFESMO-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.64
Rot. Bonds2

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

(3-methoxy-1,2-thiazol-5-yl)methanol (PubChem CID 10630638) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)methanol
PubChem CID10630638
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1cc(CO)sn1
InChIInChI=1S/C5H7NO2S/c1-8-5-2-4(3-7)9-6-5/h2,7H,3H2,1H3
InChIKeyYHVIGIWXHFESMO-UHFFFAOYSA-N
XLogP0.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanol (CID 10630638) is (3-methoxy-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)methanol is COc1cc(CO)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)methanol?
The InChIKey is YHVIGIWXHFESMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-8-5-2-4(3-7)9-6-5/h2,7H,3H2,1H3.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)methanol?
(3-methoxy-1,2-thiazol-5-yl)methanol has a molecular weight of 145.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 10630638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).