(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol

C11H12N2OS — CID 63970260

IUPAC(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol
SMILESCc1cc(C(O)c2cnccn2)c(C)s1
InChIInChI=1S/C11H12N2OS/c1-7-5-9(8(2)15-7)11(14)10-6-12-3-4-13-10/h3-6,11,14H,1-2H3
InChIKeySHFGSNUAMLDQQD-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol

(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol (PubChem CID 63970260) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol
PubChem CID63970260
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol
SMILESCc1cc(C(O)c2cnccn2)c(C)s1
InChIInChI=1S/C11H12N2OS/c1-7-5-9(8(2)15-7)11(14)10-6-12-3-4-13-10/h3-6,11,14H,1-2H3
InChIKeySHFGSNUAMLDQQD-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol (CID 63970260) is (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol is Cc1cc(C(O)c2cnccn2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is SHFGSNUAMLDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-5-9(8(2)15-7)11(14)10-6-12-3-4-13-10/h3-6,11,14H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol?
(2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63970260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).