[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate

C12H17NO5S — CID 100724472

IUPAC[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate
SMILESCO[C@H](C)C(=O)O[C@@H](C)c1cnc(C2OCCO2)s1
InChIInChI=1S/C12H17NO5S/c1-7(18-11(14)8(2)15-3)9-6-13-10(19-9)12-16-4-5-17-12/h6-8,12H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyYPYJNVRFZFTMTE-JGVFFNPUSA-N
MW287.34 g/mol
LogP1.83
Rot. Bonds5

About [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate

[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate (PubChem CID 100724472) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate.

Molecular Properties

Compound Name[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate
PubChem CID100724472
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate
SMILESCO[C@H](C)C(=O)O[C@@H](C)c1cnc(C2OCCO2)s1
InChIInChI=1S/C12H17NO5S/c1-7(18-11(14)8(2)15-3)9-6-13-10(19-9)12-16-4-5-17-12/h6-8,12H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyYPYJNVRFZFTMTE-JGVFFNPUSA-N
XLogP1.83
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate?
The IUPAC name of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate (CID 100724472) is [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate.
What is the SMILES notation for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate?
The canonical SMILES for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate is CO[C@H](C)C(=O)O[C@@H](C)c1cnc(C2OCCO2)s1.
What is the InChIKey of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate?
The InChIKey is YPYJNVRFZFTMTE-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-7(18-11(14)8(2)15-3)9-6-13-10(19-9)12-16-4-5-17-12/h6-8,12H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate?
[(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate has a molecular weight of 287.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethyl] (2R)-2-methoxypropanoate is sourced from PubChem (CID 100724472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).