3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

C21H26ClN3O4S — CID 55336049

IUPAC3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCCCOc1c(Cl)cc(C=CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1OC
InChIInChI=1S/C21H26ClN3O4S/c1-3-8-29-20-17(22)11-15(12-18(20)27-2)4-5-19(26)24-21-23-16(14-30-21)13-25-6-9-28-10-7-25/h4-5,11-12,14H,3,6-10,13H2,1-2H3,(H,23,24,26)
InChIKeyFGAKWQMUVUEXBI-UHFFFAOYSA-N
MW451.98 g/mol
LogP4.08
Rot. Bonds9

About 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 55336049) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID55336049
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESCCCOc1c(Cl)cc(C=CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1OC
InChIInChI=1S/C21H26ClN3O4S/c1-3-8-29-20-17(22)11-15(12-18(20)27-2)4-5-19(26)24-21-23-16(14-30-21)13-25-6-9-28-10-7-25/h4-5,11-12,14H,3,6-10,13H2,1-2H3,(H,23,24,26)
InChIKeyFGAKWQMUVUEXBI-UHFFFAOYSA-N
XLogP4.08
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 55336049) is 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is CCCOc1c(Cl)cc(C=CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1OC.
What is the InChIKey of 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is FGAKWQMUVUEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-3-8-29-20-17(22)11-15(12-18(20)27-2)4-5-19(26)24-21-23-16(14-30-21)13-25-6-9-28-10-7-25/h4-5,11-12,14H,3,6-10,13H2,1-2H3,(H,23,24,26).
What are the key properties of 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 451.98 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 55336049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).