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

C19H18N2OS — CID 90546989

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)19-21-14(2)17(23-19)12-20-18(22)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyPOYGMJTVGZZAAC-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.36
Rot. Bonds4

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

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide (PubChem CID 90546989) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
PubChem CID90546989
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)19-21-14(2)17(23-19)12-20-18(22)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyPOYGMJTVGZZAAC-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 90547168
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71795481
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 90547242
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide (CID 90546989) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide is Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The InChIKey is POYGMJTVGZZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)19-21-14(2)17(23-19)12-20-18(22)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 90546989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).