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

C21H22N2OS — CID 5019698

IUPAC4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-14(2)12-16-6-10-17(11-7-16)19-13-25-21(22-19)23-20(24)18-8-4-15(3)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChIKeyAVOFMKVIBNCNFZ-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.57
Rot. Bonds5

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

4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 5019698) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID5019698
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H22N2OS/c1-14(2)12-16-6-10-17(11-7-16)19-13-25-21(22-19)23-20(24)18-8-4-15(3)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChIKeyAVOFMKVIBNCNFZ-UHFFFAOYSA-N
XLogP5.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
4-chloro-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 17372210
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 5189865
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3601096
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4198104
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 5019698) is 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AVOFMKVIBNCNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-14(2)12-16-6-10-17(11-7-16)19-13-25-21(22-19)23-20(24)18-8-4-15(3)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,22,23,24).
What are the key properties of 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide?
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5019698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).