(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol

C8H9N3O2S — CID 130580255

IUPAC(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol
SMILESCOc1nc(-n2cccn2)c(CO)s1
InChIInChI=1S/C8H9N3O2S/c1-13-8-10-7(6(5-12)14-8)11-4-2-3-9-11/h2-4,12H,5H2,1H3
InChIKeyVEDWBHSOWUOCIV-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.83
Rot. Bonds3

About (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol

(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol (PubChem CID 130580255) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol
PubChem CID130580255
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol
SMILESCOc1nc(-n2cccn2)c(CO)s1
InChIInChI=1S/C8H9N3O2S/c1-13-8-10-7(6(5-12)14-8)11-4-2-3-9-11/h2-4,12H,5H2,1H3
InChIKeyVEDWBHSOWUOCIV-UHFFFAOYSA-N
XLogP0.83
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol (CID 130580255) is (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol is COc1nc(-n2cccn2)c(CO)s1.
What is the InChIKey of (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is VEDWBHSOWUOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-13-8-10-7(6(5-12)14-8)11-4-2-3-9-11/h2-4,12H,5H2,1H3.
What are the key properties of (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol?
(2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 211.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyrazol-1-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 130580255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).