methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

C11H10N2O2S — CID 7454275

IUPACmethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C11H10N2O2S/c1-7-9(11(14)15-2)16-10(13-7)8-5-3-4-6-12-8/h3-6H,1-2H3
InChIKeyFTBPGHRUVOLRMJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.30
Rot. Bonds2

About methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 7454275) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID7454275
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C11H10N2O2S/c1-7-9(11(14)15-2)16-10(13-7)8-5-3-4-6-12-8/h3-6H,1-2H3
InChIKeyFTBPGHRUVOLRMJ-UHFFFAOYSA-N
XLogP2.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 7454275) is methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccccn2)nc1C.
What is the InChIKey of methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is FTBPGHRUVOLRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-9(11(14)15-2)16-10(13-7)8-5-3-4-6-12-8/h3-6H,1-2H3.
What are the key properties of methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7454275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).