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

C23H24N2O3S — CID 3591855

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(OCC)cc2)cs1
InChIInChI=1S/C23H24N2O3S/c1-3-15-28-21-8-6-5-7-18(21)11-14-22(26)25-23-24-20(16-29-23)17-9-12-19(13-10-17)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26)
InChIKeyUHDOUDREAMLMNO-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.65
Rot. Bonds9

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

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 3591855) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID3591855
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(OCC)cc2)cs1
InChIInChI=1S/C23H24N2O3S/c1-3-15-28-21-8-6-5-7-18(21)11-14-22(26)25-23-24-20(16-29-23)17-9-12-19(13-10-17)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26)
InChIKeyUHDOUDREAMLMNO-UHFFFAOYSA-N
XLogP5.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3325625
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide
CID 5045693
3-(2-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 5050313
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713
4-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoate
CID 4746122
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2071633
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2071631
3-(4-nitrophenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4192779
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide (CID 3591855) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1C=CC(=O)Nc1nc(-c2ccc(OCC)cc2)cs1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is UHDOUDREAMLMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-15-28-21-8-6-5-7-18(21)11-14-22(26)25-23-24-20(16-29-23)17-9-12-19(13-10-17)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 408.52 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3591855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).