(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile

C15H15N3OS — CID 24573384

IUPAC(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
SMILESCCOc1ccc(-c2nc(/C(C#N)=C(\C)N)cs2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)15-18-14(9-20-15)13(8-16)10(2)17/h4-7,9H,3,17H2,1-2H3/b13-10+
InChIKeyOZFSKRCBMOTRGL-JLHYYAGUSA-N
MW285.37 g/mol
LogP3.42
Rot. Bonds4

About (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile

(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile (PubChem CID 24573384) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
PubChem CID24573384
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
SMILESCCOc1ccc(-c2nc(/C(C#N)=C(\C)N)cs2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)15-18-14(9-20-15)13(8-16)10(2)17/h4-7,9H,3,17H2,1-2H3/b13-10+
InChIKeyOZFSKRCBMOTRGL-JLHYYAGUSA-N
XLogP3.42
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24587653
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
(Z)-3-amino-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24587652
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
(Z)-3-amino-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24587673
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile (CID 24573384) is (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile is CCOc1ccc(-c2nc(/C(C#N)=C(\C)N)cs2)cc1.
What is the InChIKey of (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile?
The InChIKey is OZFSKRCBMOTRGL-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)15-18-14(9-20-15)13(8-16)10(2)17/h4-7,9H,3,17H2,1-2H3/b13-10+.
What are the key properties of (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile?
(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile has a molecular weight of 285.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile is sourced from PubChem (CID 24573384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).