(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C14H11N3O2S — CID 710750

IUPAC(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-12-4-2-10(3-5-12)8-11(9-15)13(18)17-14-16-6-7-20-14/h2-8H,1H3,(H,16,17,18)/b11-8+
InChIKeyJBSVPRFHUOOIJB-DHZHZOJOSA-N
MW285.33 g/mol
LogP2.70
Rot. Bonds4

About (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 710750) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID710750
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H11N3O2S/c1-19-12-4-2-10(3-5-12)8-11(9-15)13(18)17-14-16-6-7-20-14/h2-8H,1H3,(H,16,17,18)/b11-8+
InChIKeyJBSVPRFHUOOIJB-DHZHZOJOSA-N
XLogP2.70
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714150
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 710750) is (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is JBSVPRFHUOOIJB-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-12-4-2-10(3-5-12)8-11(9-15)13(18)17-14-16-6-7-20-14/h2-8H,1H3,(H,16,17,18)/b11-8+.
What are the key properties of (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 285.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 710750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).