N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride

C20H23ClFN3O2S — CID 16799034

IUPACN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1.Cl
InChIInChI=1S/C20H22FN3O2S.ClH/c1-23(2)10-5-11-24(19(25)14-6-4-7-16(12-14)26-3)20-22-17-9-8-15(21)13-18(17)27-20;/h4,6-9,12-13H,5,10-11H2,1-3H3;1H
InChIKeyROLTUQKXKXZJOS-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.46
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride (PubChem CID 16799034) has the molecular formula C20H23ClFN3O2S and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
PubChem CID16799034
Molecular FormulaC20H23ClFN3O2S
Molecular Weight423.94 g/mol
Exact Mass423.12
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1.Cl
InChIInChI=1S/C20H22FN3O2S.ClH/c1-23(2)10-5-11-24(19(25)14-6-4-7-16(12-14)26-3)20-22-17-9-8-15(21)13-18(17)27-20;/h4,6-9,12-13H,5,10-11H2,1-3H3;1H
InChIKeyROLTUQKXKXZJOS-UHFFFAOYSA-N
XLogP4.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.46
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)-3-methoxybenzamide;hydrochloride
CID 44923148
N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614
N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930842
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44925316
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-pentoxybenzamide
CID 43963591
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507331
N-[3-(dimethylamino)propyl]-3,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964432
4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808644
N-[3-(dimethylamino)propyl]-4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16799048
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 18563836
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44923434
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071477

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride (CID 16799034) is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride is COc1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride?
The InChIKey is ROLTUQKXKXZJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S.ClH/c1-23(2)10-5-11-24(19(25)14-6-4-7-16(12-14)26-3)20-22-17-9-8-15(21)13-18(17)27-20;/h4,6-9,12-13H,5,10-11H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride?
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 4.46, 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]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 16799034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).