N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide

C20H20N2OS — CID 7287506

IUPACN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2OS/c1-15-6-5-9-17(12-15)20-22-18(14-24-20)10-11-21-19(23)13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)
InChIKeyVQCBOPGDABNHFA-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide

N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide (PubChem CID 7287506) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
PubChem CID7287506
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)c1
InChIInChI=1S/C20H20N2OS/c1-15-6-5-9-17(12-15)20-22-18(14-24-20)10-11-21-19(23)13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23)
InChIKeyVQCBOPGDABNHFA-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide (CID 7287506) is N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide is Cc1cccc(-c2nc(CCNC(=O)Cc3ccccc3)cs2)c1.
What is the InChIKey of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide?
The InChIKey is VQCBOPGDABNHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-6-5-9-17(12-15)20-22-18(14-24-20)10-11-21-19(23)13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide?
N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide has a molecular weight of 336.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 7287506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).