N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide

C24H18N2O2S — CID 46228971

IUPACN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
InChIKeyDOTUNKPRWZJBPQ-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.60
Rot. Bonds5

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

N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 46228971) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID46228971
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC NameN-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
InChIKeyDOTUNKPRWZJBPQ-UHFFFAOYSA-N
XLogP5.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 46228971) is N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is DOTUNKPRWZJBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28).
What are the key properties of N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylbenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46228971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).