2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

C18H16Cl3N3OS — CID 41343915

IUPAC2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1cc(Cl)ccc1Cl)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H16Cl3N3OS/c1-23(2)8-9-24(17(25)12-10-11(19)6-7-13(12)20)18-22-16-14(21)4-3-5-15(16)26-18/h3-7,10H,8-9H2,1-2H3
InChIKeyFXQOMSGOVKOQCJ-UHFFFAOYSA-N
MW428.77 g/mol
LogP5.46
Rot. Bonds5

About 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 41343915) has the molecular formula C18H16Cl3N3OS and a molecular weight of 428.77 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID41343915
Molecular FormulaC18H16Cl3N3OS
Molecular Weight428.77 g/mol
Exact Mass427.01
IUPAC Name2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1cc(Cl)ccc1Cl)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C18H16Cl3N3OS/c1-23(2)8-9-24(17(25)12-10-11(19)6-7-13(12)20)18-22-16-14(21)4-3-5-15(16)26-18/h3-7,10H,8-9H2,1-2H3
InChIKeyFXQOMSGOVKOQCJ-UHFFFAOYSA-N
XLogP5.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946789
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44923547
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide;hydrochloride
CID 44923991
2-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 44930562
5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 7208246
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 41343947
3-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923933
2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983555
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44928667
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]naphthalene-1-carboxamide;hydrochloride
CID 44930542
2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930171
2,5-dichloro-N-[2-(diethylamino)ethyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946506

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 41343915) is 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCN(C(=O)c1cc(Cl)ccc1Cl)c1nc2c(Cl)cccc2s1.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is FXQOMSGOVKOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3OS/c1-23(2)8-9-24(17(25)12-10-11(19)6-7-13(12)20)18-22-16-14(21)4-3-5-15(16)26-18/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?
2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 428.77 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 41343915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).