N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide

C23H24N2O2S — CID 5045693

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C23H24N2O2S/c1-3-15-27-21-8-6-5-7-19(21)13-14-22(26)25-23-24-20(16-28-23)18-11-9-17(4-2)10-12-18/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26)
InChIKeyOCMWZKHCKNCDGK-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.81
Rot. Bonds8

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 5045693) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID5045693
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C23H24N2O2S/c1-3-15-27-21-8-6-5-7-19(21)13-14-22(26)25-23-24-20(16-28-23)18-11-9-17(4-2)10-12-18/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26)
InChIKeyOCMWZKHCKNCDGK-UHFFFAOYSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 3591855
3-(2-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5050313
3-(2-butoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3325625
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
(E)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 167957063
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
3-(4-chlorophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5139466
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
(E)-2-cyano-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 19206712
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2071633

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide (CID 5045693) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(CC)cc2)cs1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is OCMWZKHCKNCDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-3-15-27-21-8-6-5-7-19(21)13-14-22(26)25-23-24-20(16-28-23)18-11-9-17(4-2)10-12-18/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 392.52 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5045693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).