3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C19H18N2OS — CID 90626115

IUPAC3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C19H18N2OS/c1-12-8-9-15(10-13(12)2)19(22)21-17-7-5-4-6-16(17)18-11-23-14(3)20-18/h4-11H,1-3H3,(H,21,22)
InChIKeyCZYBPWVAULJCIR-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.99
Rot. Bonds3

About 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 90626115) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID90626115
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C19H18N2OS/c1-12-8-9-15(10-13(12)2)19(22)21-17-7-5-4-6-16(17)18-11-23-14(3)20-18/h4-11H,1-3H3,(H,21,22)
InChIKeyCZYBPWVAULJCIR-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626166
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 126092839
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 90626205

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 90626115) is 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(C)c(C)c2)cs1.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is CZYBPWVAULJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-8-9-15(10-13(12)2)19(22)21-17-7-5-4-6-16(17)18-11-23-14(3)20-18/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 90626115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).