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

C18H16N2OS — CID 2110572

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cs1
InChIInChI=1S/C18H16N2OS/c1-13-19-17(12-22-13)15-7-9-16(10-8-15)20-18(21)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyCRJSJMPGXGTTNU-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.30
Rot. Bonds4

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide (PubChem CID 2110572) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
PubChem CID2110572
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cs1
InChIInChI=1S/C18H16N2OS/c1-13-19-17(12-22-13)15-7-9-16(10-8-15)20-18(21)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21)
InChIKeyCRJSJMPGXGTTNU-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide (CID 2110572) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide is Cc1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is CRJSJMPGXGTTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-19-17(12-22-13)15-7-9-16(10-8-15)20-18(21)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 308.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 2110572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).