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

C16H15N3O2S — CID 19206693

IUPAC(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nccs1
InChIInChI=1S/C16H15N3O2S/c1-2-8-21-14-6-4-3-5-12(14)10-13(11-17)15(20)19-16-18-7-9-22-16/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)/b13-10+
InChIKeyOYZCGZZBLXIOPS-JLHYYAGUSA-N
MW313.38 g/mol
LogP3.48
Rot. Bonds6

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

(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 19206693) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID19206693
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nccs1
InChIInChI=1S/C16H15N3O2S/c1-2-8-21-14-6-4-3-5-12(14)10-13(11-17)15(20)19-16-18-7-9-22-16/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)/b13-10+
InChIKeyOYZCGZZBLXIOPS-JLHYYAGUSA-N
XLogP3.48
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.48
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

(E)-2-cyano-3-(2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714174
(E)-2-cyano-3-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 40646479
(E)-2-cyano-3-(2-methylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2714162
(E)-2-cyano-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 19206712
(E)-2-cyano-3-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 6197272
(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206768
2-cyano-3-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 4710730
(E)-2-cyano-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 19206775
(Z)-2-cyano-3-[4-[3-(2-methoxyphenoxy)propoxy]phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170912782
propyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19206665
(E)-2-cyano-3-(2-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19206748
(E)-N-butan-2-yl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206765

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 19206693) is (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1nccs1.
What is the InChIKey of (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is OYZCGZZBLXIOPS-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-8-21-14-6-4-3-5-12(14)10-13(11-17)15(20)19-16-18-7-9-22-16/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)/b13-10+.
What are the key properties of (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 313.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-propoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 19206693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).