(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol

C13H19N3O3S — CID 23243526

IUPAC(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol
SMILESCOC1=N[C@H]([C@H](O)c2nccs2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C13H19N3O3S/c1-7(2)8-11(18-3)16-9(12(15-8)19-4)10(17)13-14-5-6-20-13/h5-10,17H,1-4H3/t8-,9+,10-/m0/s1
InChIKeyIWQAJTZKBITQKV-AEJSXWLSSA-N
MW297.38 g/mol
LogP1.67
Rot. Bonds3

About (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol

(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 23243526) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID23243526
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol
SMILESCOC1=N[C@H]([C@H](O)c2nccs2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C13H19N3O3S/c1-7(2)8-11(18-3)16-9(12(15-8)19-4)10(17)13-14-5-6-20-13/h5-10,17H,1-4H3/t8-,9+,10-/m0/s1
InChIKeyIWQAJTZKBITQKV-AEJSXWLSSA-N
XLogP1.67
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Thiazolemethanol,-alpha--(1-methylethyl)-
CID 13032476
tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11141557
(1R,2S)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 10703222
2-Methyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 11819468
Tert-butyl 4-[hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15599685
4-(1,3-Thiazol-2-yl)oxan-4-ol
CID 18996289
2-Amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 19820343
2,2-Dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 21060249
(1R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 22843543
2-Amino-1-thiazol-2-yl-propan-1-ol
CID 45121875
(1S,2R)-2-amino-4-methyl-1-(1,3-thiazol-2-yl)pentan-1-ol
CID 54227308
2-(1,3-Thiazol-2-yl)oxan-4-ol
CID 67258701

Frequently Asked Questions

What is the IUPAC name of (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol (CID 23243526) is (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol is COC1=N[C@H]([C@H](O)c2nccs2)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is IWQAJTZKBITQKV-AEJSXWLSSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-7(2)8-11(18-3)16-9(12(15-8)19-4)10(17)13-14-5-6-20-13/h5-10,17H,1-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol?
(S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 297.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 23243526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).