2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C15H15ClFN3O2S — CID 166427762

IUPAC2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C(F)Cl
InChIInChI=1S/C15H15ClFN3O2S/c16-13(17)14(21)18-11-3-1-10(2-4-11)12-9-23-15(19-12)20-5-7-22-8-6-20/h1-4,9,13H,5-8H2,(H,18,21)
InChIKeyNMIWLSYNGGHXMB-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 166427762) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID166427762
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Name2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C(F)Cl
InChIInChI=1S/C15H15ClFN3O2S/c16-13(17)14(21)18-11-3-1-10(2-4-11)12-9-23-15(19-12)20-5-7-22-8-6-20/h1-4,9,13H,5-8H2,(H,18,21)
InChIKeyNMIWLSYNGGHXMB-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 24573079
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
CID 166240344
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
3-[4-(dimethylamino)phenyl]-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18272653
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
CID 167887337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 166427762) is 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is NMIWLSYNGGHXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c16-13(17)14(21)18-11-3-1-10(2-4-11)12-9-23-15(19-12)20-5-7-22-8-6-20/h1-4,9,13H,5-8H2,(H,18,21).
What are the key properties of 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 355.82 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 166427762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).