methyl 2-methyl-1,3-thiazole-4-carboxylate

C6H7NO2S — CID 14812829

IUPACmethyl 2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C)n1
InChIInChI=1S/C6H7NO2S/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
InChIKeyFZERNAIKPVSQHU-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.24
Rot. Bonds1

About methyl 2-methyl-1,3-thiazole-4-carboxylate

methyl 2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 14812829) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl 2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,3-thiazole-4-carboxylate
PubChem CID14812829
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl 2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C)n1
InChIInChI=1S/C6H7NO2S/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
InChIKeyFZERNAIKPVSQHU-UHFFFAOYSA-N
XLogP1.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole;methyl 2-(2-bromoacetyl)-1,3-thiazole-4-carboxylate;methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 158679286
methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
CID 106946619
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
methyl 2-prop-1-ynyl-1,3-thiazole-4-carboxylate
CID 142313715
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
ethane;methyl 2-prop-1-ynyl-1,3-thiazole-4-carboxylate
CID 142313714
[(E)-pent-2-enyl] 2-methyl-1,3-thiazole-4-carboxylate
CID 86812908
methyl 2-[(1R)-1-hydroxy-2-methylpropyl]-1,3-thiazole-4-carboxylate
CID 11378914

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-1,3-thiazole-4-carboxylate (CID 14812829) is methyl 2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C)n1.
What is the InChIKey of methyl 2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is FZERNAIKPVSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3.
What are the key properties of methyl 2-methyl-1,3-thiazole-4-carboxylate?
methyl 2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 157.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 14812829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).