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

C19H18N2OS — CID 2110573

IUPAC2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-13(2)18(22)20-16-10-6-9-15(11-16)17-12-23-19(21-17)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,22)
InChIKeyOOZLQQVDMRIKMB-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.07
Rot. Bonds4

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

2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 2110573) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID2110573
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-13(2)18(22)20-16-10-6-9-15(11-16)17-12-23-19(21-17)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,22)
InChIKeyOOZLQQVDMRIKMB-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 2110573) is 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is CC(C)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is OOZLQQVDMRIKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13(2)18(22)20-16-10-6-9-15(11-16)17-12-23-19(21-17)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 322.43 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 2110573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).