5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide

C22H23F2N5O3S — CID 59797673

IUPAC5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide
SMILESN/C(=N\CCN1CCOCC1)c1c(Nc2ccc(Oc3cc(F)cc(F)c3)cc2)s[nH]c1=O
InChIInChI=1S/C22H23F2N5O3S/c23-14-11-15(24)13-18(12-14)32-17-3-1-16(2-4-17)27-22-19(21(30)28-33-22)20(25)26-5-6-29-7-9-31-10-8-29/h1-4,11-13,27H,5-10H2,(H2,25,26)(H,28,30)
InChIKeyPYMBVUJFIIYAST-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.29
Rot. Bonds8

About 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide

5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide (PubChem CID 59797673) has the molecular formula C22H23F2N5O3S and a molecular weight of 475.52 g/mol. Its IUPAC name is 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound Name5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide
PubChem CID59797673
Molecular FormulaC22H23F2N5O3S
Molecular Weight475.52 g/mol
Exact Mass475.15
IUPAC Name5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide
SMILESN/C(=N\CCN1CCOCC1)c1c(Nc2ccc(Oc3cc(F)cc(F)c3)cc2)s[nH]c1=O
InChIInChI=1S/C22H23F2N5O3S/c23-14-11-15(24)13-18(12-14)32-17-3-1-16(2-4-17)27-22-19(21(30)28-33-22)20(25)26-5-6-29-7-9-31-10-8-29/h1-4,11-13,27H,5-10H2,(H2,25,26)(H,28,30)
InChIKeyPYMBVUJFIIYAST-UHFFFAOYSA-N
XLogP3.29
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide?
The IUPAC name of 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide (CID 59797673) is 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide?
The canonical SMILES for 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide is N/C(=N\CCN1CCOCC1)c1c(Nc2ccc(Oc3cc(F)cc(F)c3)cc2)s[nH]c1=O.
What is the InChIKey of 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide?
The InChIKey is PYMBVUJFIIYAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3S/c23-14-11-15(24)13-18(12-14)32-17-3-1-16(2-4-17)27-22-19(21(30)28-33-22)20(25)26-5-6-29-7-9-31-10-8-29/h1-4,11-13,27H,5-10H2,(H2,25,26)(H,28,30).
What are the key properties of 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide?
5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide has a molecular weight of 475.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-difluorophenoxy)anilino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 59797673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).