N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide

C24H27N3O3S — CID 108750995

IUPACN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C24H27N3O3S/c28-22(12-7-15-30-20-10-5-2-6-11-20)25-24-26-23(19-8-3-1-4-9-19)21(31-24)18-27-13-16-29-17-14-27/h1-6,8-11H,7,12-18H2,(H,25,26,28)
InChIKeyPGLDXAZNYKLLTB-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.44
Rot. Bonds9

About N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide (PubChem CID 108750995) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
PubChem CID108750995
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C24H27N3O3S/c28-22(12-7-15-30-20-10-5-2-6-11-20)25-24-26-23(19-8-3-1-4-9-19)21(31-24)18-27-13-16-29-17-14-27/h1-6,8-11H,7,12-18H2,(H,25,26,28)
InChIKeyPGLDXAZNYKLLTB-UHFFFAOYSA-N
XLogP4.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide (CID 108750995) is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide?
The InChIKey is PGLDXAZNYKLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-22(12-7-15-30-20-10-5-2-6-11-20)25-24-26-23(19-8-3-1-4-9-19)21(31-24)18-27-13-16-29-17-14-27/h1-6,8-11H,7,12-18H2,(H,25,26,28).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide?
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide has a molecular weight of 437.57 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide is sourced from PubChem (CID 108750995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).