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

C11H9ClN2O2S — CID 79079553

IUPACmethyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cnccc2C)nc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-4-13-5-7(6)10-14-9(12)8(17-10)11(15)16-2/h3-5H,1-2H3
InChIKeyDWFIDNZISRGOTG-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.95
Rot. Bonds2

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

methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 79079553) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID79079553
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Namemethyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cnccc2C)nc1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-6-3-4-13-5-7(6)10-14-9(12)8(17-10)11(15)16-2/h3-5H,1-2H3
InChIKeyDWFIDNZISRGOTG-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate (CID 79079553) is methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2cnccc2C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DWFIDNZISRGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-6-3-4-13-5-7(6)10-14-9(12)8(17-10)11(15)16-2/h3-5H,1-2H3.
What are the key properties of methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-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 4-chloro-2-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 79079553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).