N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C22H20N4OS2 — CID 171342956

IUPACN-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)cc1
InChIInChI=1S/C22H20N4OS2/c1-2-4-16(5-3-1)19-14-28-21(24-19)20-15-29-22(25-20)23-17-6-8-18(9-7-17)26-10-12-27-13-11-26/h1-9,14-15H,10-13H2,(H,23,25)
InChIKeyGFHGWOSXNHSKCL-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.51
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 171342956) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID171342956
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)cc1
InChIInChI=1S/C22H20N4OS2/c1-2-4-16(5-3-1)19-14-28-21(24-19)20-15-29-22(25-20)23-17-6-8-18(9-7-17)26-10-12-27-13-11-26/h1-9,14-15H,10-13H2,(H,23,25)
InChIKeyGFHGWOSXNHSKCL-UHFFFAOYSA-N
XLogP5.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 171342956) is N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is c1ccc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is GFHGWOSXNHSKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-2-4-16(5-3-1)19-14-28-21(24-19)20-15-29-22(25-20)23-17-6-8-18(9-7-17)26-10-12-27-13-11-26/h1-9,14-15H,10-13H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 420.56 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 171342956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).