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

C22H24N2OS — CID 1185902

IUPAC4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C)cc1
InChIInChI=1S/C22H24N2OS/c1-14-6-8-16(9-7-14)19-15(2)26-21(23-19)24-20(25)17-10-12-18(13-11-17)22(3,4)5/h6-13H,1-5H3,(H,23,24,25)
InChIKeyFJGSKABTNAKCAB-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.98
Rot. Bonds3

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

4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1185902) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1185902
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C)cc1
InChIInChI=1S/C22H24N2OS/c1-14-6-8-16(9-7-14)19-15(2)26-21(23-19)24-20(25)17-10-12-18(13-11-17)22(3,4)5/h6-13H,1-5H3,(H,23,24,25)
InChIKeyFJGSKABTNAKCAB-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 6464387
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970348
2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 60529474
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
2,6-dimethoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1147007
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 1185902) is 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FJGSKABTNAKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14-6-8-16(9-7-14)19-15(2)26-21(23-19)24-20(25)17-10-12-18(13-11-17)22(3,4)5/h6-13H,1-5H3,(H,23,24,25).
What are the key properties of 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 364.51 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1185902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).