(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol

C9H9N3OS — CID 131036675

IUPAC(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESCc1cnc(C(O)c2ccns2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-4-11-7(5-10-6)9(13)8-2-3-12-14-8/h2-5,9,13H,1H3
InChIKeyDEKDIPMYTKIJKF-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.32
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol

(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol (PubChem CID 131036675) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol
PubChem CID131036675
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol
SMILESCc1cnc(C(O)c2ccns2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-4-11-7(5-10-6)9(13)8-2-3-12-14-8/h2-5,9,13H,1H3
InChIKeyDEKDIPMYTKIJKF-UHFFFAOYSA-N
XLogP1.32
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol (CID 131036675) is (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol is Cc1cnc(C(O)c2ccns2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is DEKDIPMYTKIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-4-11-7(5-10-6)9(13)8-2-3-12-14-8/h2-5,9,13H,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol?
(5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 207.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131036675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).