N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide

C19H18N2O2S — CID 724165

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)11-17-13-20-19(24-17)21-18(22)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyLHJAYASKUKCJIA-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.92
Rot. Bonds6

About N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 724165) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID724165
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)11-17-13-20-19(24-17)21-18(22)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyLHJAYASKUKCJIA-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 724165) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide is COc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is LHJAYASKUKCJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-9-7-15(8-10-16)11-17-13-20-19(24-17)21-18(22)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).