2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C20H20N2O3S — CID 1147007

IUPAC2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C20H20N2O3S/c1-12-8-10-14(11-9-12)18-13(2)26-20(21-18)22-19(23)17-15(24-3)6-5-7-16(17)25-4/h5-11H,1-4H3,(H,21,22,23)
InChIKeyPNVCUDGMLGRROB-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.70
Rot. Bonds5

About 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1147007) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1147007
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
InChIInChI=1S/C20H20N2O3S/c1-12-8-10-14(11-9-12)18-13(2)26-20(21-18)22-19(23)17-15(24-3)6-5-7-16(17)25-4/h5-11H,1-4H3,(H,21,22,23)
InChIKeyPNVCUDGMLGRROB-UHFFFAOYSA-N
XLogP4.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methoxybenzamide
CID 81421138
3-[(2-bromophenoxy)methyl]-4-methoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 17021122
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,3-difluorobenzamide
CID 75466790
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 1147007) is 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.
What is the InChIKey of 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PNVCUDGMLGRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-12-8-10-14(11-9-12)18-13(2)26-20(21-18)22-19(23)17-15(24-3)6-5-7-16(17)25-4/h5-11H,1-4H3,(H,21,22,23).
What are the key properties of 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1147007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).