N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

C19H18N2O3S — CID 110356068

IUPACN-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-12-11-25-19(20-12)14-6-4-5-13(9-14)18(22)21-15-7-8-16(23-2)17(10-15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyIPEIOBPEOZSDLY-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.39
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 110356068) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID110356068
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-12-11-25-19(20-12)14-6-4-5-13(9-14)18(22)21-15-7-8-16(23-2)17(10-15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyIPEIOBPEOZSDLY-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
CID 110356107
3-(2-amino-1,3-thiazol-4-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 89145903
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 58930781
N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
CID 171982252
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
3-methyl-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 119170390
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 120702327
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110406254
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 110356068) is N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1ccc(NC(=O)c2cccc(-c3nc(C)cs3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IPEIOBPEOZSDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-11-25-19(20-12)14-6-4-5-13(9-14)18(22)21-15-7-8-16(23-2)17(10-15)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110356068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).