N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C24H26N4O4S — CID 90462400

IUPACN-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C24H26N4O4S/c1-16(28-10-12-32-13-11-28)22(29)27-19-14-18(8-9-20(19)31-2)26-23(30)21-15-25-24(33-21)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJDVQIXVEHPAFKV-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.73
Rot. Bonds7

About N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 90462400) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID90462400
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C24H26N4O4S/c1-16(28-10-12-32-13-11-28)22(29)27-19-14-18(8-9-20(19)31-2)26-23(30)21-15-25-24(33-21)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyJDVQIXVEHPAFKV-UHFFFAOYSA-N
XLogP3.73
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 90462400) is N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1NC(=O)C(C)N1CCOCC1.
What is the InChIKey of N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JDVQIXVEHPAFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16(28-10-12-32-13-11-28)22(29)27-19-14-18(8-9-20(19)31-2)26-23(30)21-15-25-24(33-21)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-morpholin-4-ylpropanoylamino)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90462400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).