5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

C19H19ClFN3O2S — CID 43961160

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCN(C)C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19ClFN3O2S/c1-23(2)8-9-24(18(25)14-10-12(20)4-7-16(14)26-3)19-22-15-6-5-13(21)11-17(15)27-19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyIZNAREWSBACOIR-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide

5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 43961160) has the molecular formula C19H19ClFN3O2S and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID43961160
Molecular FormulaC19H19ClFN3O2S
Molecular Weight407.90 g/mol
Exact Mass407.09
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCN(C)C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19ClFN3O2S/c1-23(2)8-9-24(18(25)14-10-12(20)4-7-16(14)26-3)19-22-15-6-5-13(21)11-17(15)27-19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyIZNAREWSBACOIR-UHFFFAOYSA-N
XLogP4.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 43964713
2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347067
5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 43964716
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 43966998
5-chloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide
CID 43961174
5-chloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide;hydrochloride
CID 44929841
3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347064
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507384
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,4-difluorobenzamide
CID 43961014
5-bromo-2-chloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964698
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 44923148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 43961160) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N(CCN(C)C)c1nc2ccc(F)cc2s1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is IZNAREWSBACOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2S/c1-23(2)8-9-24(18(25)14-10-12(20)4-7-16(14)26-3)19-22-15-6-5-13(21)11-17(15)27-19/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 407.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 43961160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).