(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol

C10H10N2OS — CID 63968173

IUPAC(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCc1ccsc1C(O)c1cnccn1
InChIInChI=1S/C10H10N2OS/c1-7-2-5-14-10(7)9(13)8-6-11-3-4-12-8/h2-6,9,13H,1H3
InChIKeyKMDWQFGLYUDTJV-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.93
Rot. Bonds2

About (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol

(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 63968173) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID63968173
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCc1ccsc1C(O)c1cnccn1
InChIInChI=1S/C10H10N2OS/c1-7-2-5-14-10(7)9(13)8-6-11-3-4-12-8/h2-6,9,13H,1H3
InChIKeyKMDWQFGLYUDTJV-UHFFFAOYSA-N
XLogP1.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol (CID 63968173) is (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol is Cc1ccsc1C(O)c1cnccn1.
What is the InChIKey of (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is KMDWQFGLYUDTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-2-5-14-10(7)9(13)8-6-11-3-4-12-8/h2-6,9,13H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol?
(3-methylthiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 206.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63968173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).