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

C22H22N2O2S — CID 46942488

IUPACN-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(C(C)(NC(C)=O)c2nc(/C=C/c3ccccc3)cs2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16(25)24-22(2,18-10-13-20(26-3)14-11-18)21-23-19(15-27-21)12-9-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b12-9+
InChIKeyMFVDUQVEZOWSGZ-FMIVXFBMSA-N
MW378.50 g/mol
LogP4.72
Rot. Bonds6

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

N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 46942488) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID46942488
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(C(C)(NC(C)=O)c2nc(/C=C/c3ccccc3)cs2)cc1
InChIInChI=1S/C22H22N2O2S/c1-16(25)24-22(2,18-10-13-20(26-3)14-11-18)21-23-19(15-27-21)12-9-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b12-9+
InChIKeyMFVDUQVEZOWSGZ-FMIVXFBMSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide (CID 46942488) is N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide is COc1ccc(C(C)(NC(C)=O)c2nc(/C=C/c3ccccc3)cs2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is MFVDUQVEZOWSGZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-16(25)24-22(2,18-10-13-20(26-3)14-11-18)21-23-19(15-27-21)12-9-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b12-9+.
What are the key properties of N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide?
N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 46942488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).