3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C14H16N2O3S — CID 38162531

IUPAC3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCOc1cc(C(=O)/N=c2\sccn2C)cc(OC)c1C
InChIInChI=1S/C14H16N2O3S/c1-9-11(18-3)7-10(8-12(9)19-4)13(17)15-14-16(2)5-6-20-14/h5-8H,1-4H3/b15-14-
InChIKeyJMLPTLMHMNBHKR-PFONDFGASA-N
MW292.36 g/mol
LogP2.15
Rot. Bonds3

About 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 38162531) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID38162531
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCOc1cc(C(=O)/N=c2\sccn2C)cc(OC)c1C
InChIInChI=1S/C14H16N2O3S/c1-9-11(18-3)7-10(8-12(9)19-4)13(17)15-14-16(2)5-6-20-14/h5-8H,1-4H3/b15-14-
InChIKeyJMLPTLMHMNBHKR-PFONDFGASA-N
XLogP2.15
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31287291
4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-3,5-dinitrobenzamide
CID 38163157
3,4-dimethyl-5-(methylsulfamoyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 24660465
N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
CID 29473495
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
CID 38163154
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-1,3-thiazole-4-carboxamide
CID 34429881
4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 95148026
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981
2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 51146790

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 38162531) is 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is COc1cc(C(=O)/N=c2\sccn2C)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is JMLPTLMHMNBHKR-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-11(18-3)7-10(8-12(9)19-4)13(17)15-14-16(2)5-6-20-14/h5-8H,1-4H3/b15-14-.
What are the key properties of 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 292.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 38162531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).