(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol

C14H20N2O3S — CID 23243525

IUPAC(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
SMILESCOC1=N[C@H]([C@@H](O)c2cccs2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C14H20N2O3S/c1-8(2)10-13(18-3)16-11(14(15-10)19-4)12(17)9-6-5-7-20-9/h5-8,10-12,17H,1-4H3/t10-,11+,12-/m0/s1
InChIKeyHFXLIDRVYVTARV-TUAOUCFPSA-N
MW296.39 g/mol
LogP2.28
Rot. Bonds3

About (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol

(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol (PubChem CID 23243525) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
PubChem CID23243525
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
SMILESCOC1=N[C@H]([C@@H](O)c2cccs2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C14H20N2O3S/c1-8(2)10-13(18-3)16-11(14(15-10)19-4)12(17)9-6-5-7-20-9/h5-8,10-12,17H,1-4H3/t10-,11+,12-/m0/s1
InChIKeyHFXLIDRVYVTARV-TUAOUCFPSA-N
XLogP2.28
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol
CID 23243524
(E,1R)-1-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-ol
CID 101427612
2-propan-2-ylthiophene
CID 178128598
(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol
CID 170262748
(3-methylcyclopentyl)-thiophen-2-ylmethanol
CID 65401338
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
1-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-5-iodopent-4-en-1-ol
CID 86620571
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
methyl 2-thiophen-2-ylpropanoate
CID 12819459

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol?
The IUPAC name of (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol (CID 23243525) is (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol?
The canonical SMILES for (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol is COC1=N[C@H]([C@@H](O)c2cccs2)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol?
The InChIKey is HFXLIDRVYVTARV-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8(2)10-13(18-3)16-11(14(15-10)19-4)12(17)9-6-5-7-20-9/h5-8,10-12,17H,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol?
(R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol has a molecular weight of 296.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 23243525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).