N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

C20H22FN3O2S — CID 7512342

IUPACN-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(N(CCCN(C)C)C(=O)c3ccccc3F)nc12
InChIInChI=1S/C20H22FN3O2S/c1-23(2)12-7-13-24(19(25)14-8-4-5-9-15(14)21)20-22-18-16(26-3)10-6-11-17(18)27-20/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyKULIJMWUNTTZLT-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.04
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7512342) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7512342
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc2sc(N(CCCN(C)C)C(=O)c3ccccc3F)nc12
InChIInChI=1S/C20H22FN3O2S/c1-23(2)12-7-13-24(19(25)14-8-4-5-9-15(14)21)20-22-18-16(26-3)10-6-11-17(18)27-20/h4-6,8-11H,7,12-13H2,1-3H3
InChIKeyKULIJMWUNTTZLT-UHFFFAOYSA-N
XLogP4.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507934
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide;hydrochloride
CID 44930384
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 16799144
N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41343708
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 16808811
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-fluorobenzamide
CID 41076672
N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 7512316
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 7508013
methyl 4-[3-(dimethylamino)propyl-(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41347434
N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 7512408
4-tert-butyl-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41347449
N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 43963816

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7512342) is N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccccc3F)nc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KULIJMWUNTTZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-23(2)12-7-13-24(19(25)14-8-4-5-9-15(14)21)20-22-18-16(26-3)10-6-11-17(18)27-20/h4-6,8-11H,7,12-13H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-fluoro-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7512342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).