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

C11H9ClN2O2S — CID 122476562

IUPACmethyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cncc(Cl)c2)sc1C
InChIInChI=1S/C11H9ClN2O2S/c1-6-9(11(15)16-2)14-10(17-6)7-3-8(12)5-13-4-7/h3-5H,1-2H3
InChIKeyHEMMWDWNMBNLFM-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.95
Rot. Bonds2

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

methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 122476562) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID122476562
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Namemethyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2cncc(Cl)c2)sc1C
InChIInChI=1S/C11H9ClN2O2S/c1-6-9(11(15)16-2)14-10(17-6)7-3-8(12)5-13-4-7/h3-5H,1-2H3
InChIKeyHEMMWDWNMBNLFM-UHFFFAOYSA-N
XLogP2.95
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3,5-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306376
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 2-(2-bromo-5-chlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306372
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
methyl 5-methyl-2-(4-methylthiophen-3-yl)-1,3-thiazole-4-carboxylate
CID 115422841
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 2-amino-4-(5-chloro-3-pyridinyl)benzoate
CID 176898810
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 122476562) is methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2cncc(Cl)c2)sc1C.
What is the InChIKey of methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is HEMMWDWNMBNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-9(11(15)16-2)14-10(17-6)7-3-8(12)5-13-4-7/h3-5H,1-2H3.
What are the key properties of methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 268.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122476562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).