N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide

C17H20N2O3S — CID 118344339

IUPACN-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
SMILESCCOc1ccc(Oc2ncc(/C=C/[C@H](C)NC(C)=O)s2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-21-14-6-8-15(9-7-14)22-17-18-11-16(23-17)10-5-12(2)19-13(3)20/h5-12H,4H2,1-3H3,(H,19,20)/b10-5+/t12-/m0/s1
InChIKeyCWVWOIDGHRSLAW-DJTWPOEFSA-N
MW332.43 g/mol
LogP3.87
Rot. Bonds7

About N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide

N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide (PubChem CID 118344339) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
PubChem CID118344339
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
SMILESCCOc1ccc(Oc2ncc(/C=C/[C@H](C)NC(C)=O)s2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-21-14-6-8-15(9-7-14)22-17-18-11-16(23-17)10-5-12(2)19-13(3)20/h5-12H,4H2,1-3H3,(H,19,20)/b10-5+/t12-/m0/s1
InChIKeyCWVWOIDGHRSLAW-DJTWPOEFSA-N
XLogP3.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide (CID 118344339) is N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide is CCOc1ccc(Oc2ncc(/C=C/[C@H](C)NC(C)=O)s2)cc1.
What is the InChIKey of N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The InChIKey is CWVWOIDGHRSLAW-DJTWPOEFSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-21-14-6-8-15(9-7-14)22-17-18-11-16(23-17)10-5-12(2)19-13(3)20/h5-12H,4H2,1-3H3,(H,19,20)/b10-5+/t12-/m0/s1.
What are the key properties of N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-4-[2-(4-ethoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide is sourced from PubChem (CID 118344339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).