methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate

C10H15NO3S — CID 104771637

IUPACmethyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(O)c1nc(C)cs1
InChIInChI=1S/C10H15NO3S/c1-4-7(10(13)14-3)8(12)9-11-6(2)5-15-9/h5,7-8,12H,4H2,1-3H3
InChIKeyITRFXINSIIZCTJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate

methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate (PubChem CID 104771637) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
PubChem CID104771637
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(O)c1nc(C)cs1
InChIInChI=1S/C10H15NO3S/c1-4-7(10(13)14-3)8(12)9-11-6(2)5-15-9/h5,7-8,12H,4H2,1-3H3
InChIKeyITRFXINSIIZCTJ-UHFFFAOYSA-N
XLogP1.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate?
The IUPAC name of methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate (CID 104771637) is methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate.
What is the SMILES notation for methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate?
The canonical SMILES for methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate is CCC(C(=O)OC)C(O)c1nc(C)cs1.
What is the InChIKey of methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate?
The InChIKey is ITRFXINSIIZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-7(10(13)14-3)8(12)9-11-6(2)5-15-9/h5,7-8,12H,4H2,1-3H3.
What are the key properties of methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate?
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate has a molecular weight of 229.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate is sourced from PubChem (CID 104771637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).