methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate

C7H9NO3S — CID 130580412

IUPACmethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)C(O)c1cnc(C)s1
InChIInChI=1S/C7H9NO3S/c1-4-8-3-5(12-4)6(9)7(10)11-2/h3,6,9H,1-2H3
InChIKeyPMPPUDNAMGVXTH-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate

methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate (PubChem CID 130580412) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
PubChem CID130580412
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)C(O)c1cnc(C)s1
InChIInChI=1S/C7H9NO3S/c1-4-8-3-5(12-4)6(9)7(10)11-2/h3,6,9H,1-2H3
InChIKeyPMPPUDNAMGVXTH-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580444
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 99834931
2-(dimethoxyamino)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 178165981
2-(dimethylamino)-2-(2-methyl-1,3-thiazol-5-yl)acetic acid
CID 126972584
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
CID 176529824
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96631567
CID 89036710
CID 89036710
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
CID 62214666

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate (CID 130580412) is methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate is COC(=O)C(O)c1cnc(C)s1.
What is the InChIKey of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate?
The InChIKey is PMPPUDNAMGVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-4-8-3-5(12-4)6(9)7(10)11-2/h3,6,9H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate?
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate has a molecular weight of 187.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 130580412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).