methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate

C12H12N2O2S — CID 153078007

IUPACmethyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C)s2)c(C)cn1
InChIInChI=1S/C12H12N2O2S/c1-7-5-14-10(12(15)16-3)4-9(7)11-6-13-8(2)17-11/h4-6H,1-3H3
InChIKeyVMRSUMBBFUSCEC-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.61
Rot. Bonds2

About methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate

methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate (PubChem CID 153078007) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
PubChem CID153078007
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Namemethyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C)s2)c(C)cn1
InChIInChI=1S/C12H12N2O2S/c1-7-5-14-10(12(15)16-3)4-9(7)11-6-13-8(2)17-11/h4-6H,1-3H3
InChIKeyVMRSUMBBFUSCEC-UHFFFAOYSA-N
XLogP2.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate (CID 153078007) is methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cnc(C)s2)c(C)cn1.
What is the InChIKey of methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
The InChIKey is VMRSUMBBFUSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-5-14-10(12(15)16-3)4-9(7)11-6-13-8(2)17-11/h4-6H,1-3H3.
What are the key properties of methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate?
methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 153078007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).