N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide

C22H23N3O3S — CID 2144780

IUPACN-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-28-18-10-8-17(9-11-18)23-21(26)20-19(16-6-4-3-5-7-16)24-22(29-20)25-12-14-27-15-13-25/h3-11H,2,12-15H2,1H3,(H,23,26)
InChIKeyIIGSFKSNNVQKQU-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.30
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide

N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2144780) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2144780
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-28-18-10-8-17(9-11-18)23-21(26)20-19(16-6-4-3-5-7-16)24-22(29-20)25-12-14-27-15-13-25/h3-11H,2,12-15H2,1H3,(H,23,26)
InChIKeyIIGSFKSNNVQKQU-UHFFFAOYSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide (CID 2144780) is N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IIGSFKSNNVQKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-28-18-10-8-17(9-11-18)23-21(26)20-19(16-6-4-3-5-7-16)24-22(29-20)25-12-14-27-15-13-25/h3-11H,2,12-15H2,1H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2144780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).