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

C11H12N2OS — CID 115800270

IUPAC(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCCc1ccsc1C(O)c1cnccn1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-6-15-11(8)10(14)9-7-12-4-5-13-9/h3-7,10,14H,2H2,1H3
InChIKeyCJBPGYWTMQALFU-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.18
Rot. Bonds3

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

(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol (PubChem CID 115800270) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
PubChem CID115800270
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
SMILESCCc1ccsc1C(O)c1cnccn1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-6-15-11(8)10(14)9-7-12-4-5-13-9/h3-7,10,14H,2H2,1H3
InChIKeyCJBPGYWTMQALFU-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine
CID 115860541
(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
CID 115781662
(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol
CID 112747714
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(1-ethylpyrazol-4-yl)-(3-ethylthiophen-2-yl)methanol
CID 115779049
(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol
CID 105099110
(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 115797090
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
2-(dichloromethyl)-3-ethylthiophene
CID 14685355
1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 79976328
[1-(3-ethylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324523

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol (CID 115800270) is (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol is CCc1ccsc1C(O)c1cnccn1.
What is the InChIKey of (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
The InChIKey is CJBPGYWTMQALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-8-3-6-15-11(8)10(14)9-7-12-4-5-13-9/h3-7,10,14H,2H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol?
(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol has a molecular weight of 220.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 115800270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).