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

C18H16N2OS — CID 2501115

IUPAC4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C18H16N2OS/c1-12-3-5-15(6-4-12)18(21)20-16-9-7-14(8-10-16)17-11-22-13(2)19-17/h3-11H,1-2H3,(H,20,21)
InChIKeyRBTGPLDYCIKNQJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.68
Rot. Bonds3

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

4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 2501115) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID2501115
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C18H16N2OS/c1-12-3-5-15(6-4-12)18(21)20-16-9-7-14(8-10-16)17-11-22-13(2)19-17/h3-11H,1-2H3,(H,20,21)
InChIKeyRBTGPLDYCIKNQJ-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 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 2501115) is 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is RBTGPLDYCIKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-3-5-15(6-4-12)18(21)20-16-9-7-14(8-10-16)17-11-22-13(2)19-17/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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 4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 2501115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).