2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide

C17H20FN3O2S — CID 71998735

IUPAC2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide
SMILESCc1ncc(CNC(=O)C(c2cccc(F)c2)N2CCOCC2)s1
InChIInChI=1S/C17H20FN3O2S/c1-12-19-10-15(24-12)11-20-17(22)16(21-5-7-23-8-6-21)13-3-2-4-14(18)9-13/h2-4,9-10,16H,5-8,11H2,1H3,(H,20,22)
InChIKeyVXZJYVYGWXQIMC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.28
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide

2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide (PubChem CID 71998735) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide
PubChem CID71998735
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide
SMILESCc1ncc(CNC(=O)C(c2cccc(F)c2)N2CCOCC2)s1
InChIInChI=1S/C17H20FN3O2S/c1-12-19-10-15(24-12)11-20-17(22)16(21-5-7-23-8-6-21)13-3-2-4-14(18)9-13/h2-4,9-10,16H,5-8,11H2,1H3,(H,20,22)
InChIKeyVXZJYVYGWXQIMC-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide (CID 71998735) is 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide is Cc1ncc(CNC(=O)C(c2cccc(F)c2)N2CCOCC2)s1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide?
The InChIKey is VXZJYVYGWXQIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-12-19-10-15(24-12)11-20-17(22)16(21-5-7-23-8-6-21)13-3-2-4-14(18)9-13/h2-4,9-10,16H,5-8,11H2,1H3,(H,20,22).
What are the key properties of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide?
2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 71998735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).