N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

C18H16N2OS — CID 959043

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyJPMOKRWIYQGMJL-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.68
Rot. Bonds3

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 959043) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID959043
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyJPMOKRWIYQGMJL-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 959043) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3ccccc3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JPMOKRWIYQGMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 308.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 959043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).