(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol

C16H25N3O3S — CID 162763204

IUPAC(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=NC1[C@H](O)c1nc(C)cs1
InChIInChI=1S/C16H25N3O3S/c1-6-21-14-11(9(3)4)18-15(22-7-2)12(19-14)13(20)16-17-10(5)8-23-16/h8-9,11-13,20H,6-7H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyOQWVAECUUHDRAR-YPHAAILGSA-N
MW339.46 g/mol
LogP2.76
Rot. Bonds5

About (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol

(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 162763204) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID162763204
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=NC1[C@H](O)c1nc(C)cs1
InChIInChI=1S/C16H25N3O3S/c1-6-21-14-11(9(3)4)18-15(22-7-2)12(19-14)13(20)16-17-10(5)8-23-16/h8-9,11-13,20H,6-7H2,1-5H3/t11-,12?,13+/m1/s1
InChIKeyOQWVAECUUHDRAR-YPHAAILGSA-N
XLogP2.76
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(S)-N-[(S)-(4-bromo-1,3-thiazol-2-yl)-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-2-methylpropane-2-sulfinamide
CID 162764099
3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
CID 161224014
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
CID 54446328
1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
CID 59739700
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
CID 143800499
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80843765

Frequently Asked Questions

What is the IUPAC name of (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol (CID 162763204) is (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol is CCOC1=N[C@H](C(C)C)C(OCC)=NC1[C@H](O)c1nc(C)cs1.
What is the InChIKey of (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is OQWVAECUUHDRAR-YPHAAILGSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-6-21-14-11(9(3)4)18-15(22-7-2)12(19-14)13(20)16-17-10(5)8-23-16/h8-9,11-13,20H,6-7H2,1-5H3/t11-,12?,13+/m1/s1.
What are the key properties of (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol?
(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 339.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 162763204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).