2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide

C13H13ClN2O2S — CID 51356265

IUPAC2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1COC
InChIInChI=1S/C13H13ClN2O2S/c1-15-12(17)11-10(7-18-2)16-13(19-11)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyXGSXWENUNOJLLV-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51356265) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID51356265
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1COC
InChIInChI=1S/C13H13ClN2O2S/c1-15-12(17)11-10(7-18-2)16-13(19-11)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyXGSXWENUNOJLLV-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 51356265) is 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1COC.
What is the InChIKey of 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XGSXWENUNOJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-15-12(17)11-10(7-18-2)16-13(19-11)8-3-5-9(14)6-4-8/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(methoxymethyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).