2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide

C20H20FN3O3S — CID 17470104

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F
InChIInChI=1S/C20H20FN3O3S/c1-26-17-5-2-13(10-15(17)21)11-19(25)22-14-3-4-16-18(12-14)28-20(23-16)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11H2,1H3,(H,22,25)
InChIKeyONALUTJRPOOVDF-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 17470104) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID17470104
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F
InChIInChI=1S/C20H20FN3O3S/c1-26-17-5-2-13(10-15(17)21)11-19(25)22-14-3-4-16-18(12-14)28-20(23-16)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11H2,1H3,(H,22,25)
InChIKeyONALUTJRPOOVDF-UHFFFAOYSA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 55939739
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 46674615
4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120640187
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-(2-nitrophenyl)acetamide
CID 39761652
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide (CID 17470104) is 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is ONALUTJRPOOVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-26-17-5-2-13(10-15(17)21)11-19(25)22-14-3-4-16-18(12-14)28-20(23-16)24-6-8-27-9-7-24/h2-5,10,12H,6-9,11H2,1H3,(H,22,25).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 17470104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).