N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide

C21H20N2OS — CID 46942806

IUPACN-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C21H20N2OS/c1-16(24)23-21(2,18-11-7-4-8-12-18)20-22-19(15-25-20)14-13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,24)/b14-13+
InChIKeyFIDOYLNWALLSKG-BUHFOSPRSA-N
MW348.47 g/mol
LogP4.71
Rot. Bonds5

About N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide

N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 46942806) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID46942806
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C21H20N2OS/c1-16(24)23-21(2,18-11-7-4-8-12-18)20-22-19(15-25-20)14-13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,24)/b14-13+
InChIKeyFIDOYLNWALLSKG-BUHFOSPRSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide (CID 46942806) is N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide is CC(=O)NC(C)(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1.
What is the InChIKey of N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is FIDOYLNWALLSKG-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-16(24)23-21(2,18-11-7-4-8-12-18)20-22-19(15-25-20)14-13-17-9-5-3-6-10-17/h3-15H,1-2H3,(H,23,24)/b14-13+.
What are the key properties of N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 46942806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).