N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide

C20H21F2N3O2S — CID 43964572

IUPACN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESCN(C)CCCN(C(=O)COc1ccc(F)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H21F2N3O2S/c1-24(2)10-3-11-25(19(26)13-27-16-7-4-14(21)5-8-16)20-23-17-9-6-15(22)12-18(17)28-20/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyPQTMERNPQIHRJV-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.94
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 43964572) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID43964572
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
SMILESCN(C)CCCN(C(=O)COc1ccc(F)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H21F2N3O2S/c1-24(2)10-3-11-25(19(26)13-27-16-7-4-14(21)5-8-16)20-23-17-9-6-15(22)12-18(17)28-20/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyPQTMERNPQIHRJV-UHFFFAOYSA-N
XLogP3.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 43961330
N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16799048
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-ethoxyphenoxy)acetamide
CID 43964795
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 44929993
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43964545
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide;hydrochloride
CID 44929710
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide;hydrochloride
CID 44931730
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086759
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997307
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;hydrochloride
CID 18577432
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide (CID 43964572) is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide is CN(C)CCCN(C(=O)COc1ccc(F)cc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is PQTMERNPQIHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-24(2)10-3-11-25(19(26)13-27-16-7-4-14(21)5-8-16)20-23-17-9-6-15(22)12-18(17)28-20/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide?
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 405.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 43964572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).