methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate

C7H9NO3S — CID 99609563

IUPACmethyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CO)nc1C
InChIInChI=1S/C7H9NO3S/c1-4-6(7(10)11-2)12-5(3-9)8-4/h9H,3H2,1-2H3
InChIKeyDUMGEYJJANRQNA-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.73
Rot. Bonds2

About methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 99609563) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID99609563
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(CO)nc1C
InChIInChI=1S/C7H9NO3S/c1-4-6(7(10)11-2)12-5(3-9)8-4/h9H,3H2,1-2H3
InChIKeyDUMGEYJJANRQNA-UHFFFAOYSA-N
XLogP0.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 99609563) is methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(CO)nc1C.
What is the InChIKey of methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DUMGEYJJANRQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4-6(7(10)11-2)12-5(3-9)8-4/h9H,3H2,1-2H3.
What are the key properties of methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 187.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 99609563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).