4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C19H25N3O4S — CID 46362657

IUPAC4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCOCc1nc(N2CCOCC2)sc1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-3-25-13-16-17(27-19(21-16)22-7-9-26-10-8-22)18(23)20-12-14-5-4-6-15(11-14)24-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,23)
InChIKeyLHCHKZBRJMCPPQ-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.45
Rot. Bonds8

About 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 46362657) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID46362657
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCOCc1nc(N2CCOCC2)sc1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-3-25-13-16-17(27-19(21-16)22-7-9-26-10-8-22)18(23)20-12-14-5-4-6-15(11-14)24-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,23)
InChIKeyLHCHKZBRJMCPPQ-UHFFFAOYSA-N
XLogP2.45
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 46362657) is 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CCOCc1nc(N2CCOCC2)sc1C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LHCHKZBRJMCPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-25-13-16-17(27-19(21-16)22-7-9-26-10-8-22)18(23)20-12-14-5-4-6-15(11-14)24-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46362657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).