2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

C20H19Cl4N3O2S — CID 44933425

IUPAC2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H18Cl3N3O2S.ClH/c21-13-1-3-16(23)15(11-13)19(27)26(6-5-25-7-9-28-10-8-25)20-24-17-4-2-14(22)12-18(17)29-20;/h1-4,11-12H,5-10H2;1H
InChIKeyGQKBVYSSOUHASB-UHFFFAOYSA-N
MW507.27 g/mol
LogP5.66
Rot. Bonds5

About 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 44933425) has the molecular formula C20H19Cl4N3O2S and a molecular weight of 507.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID44933425
Molecular FormulaC20H19Cl4N3O2S
Molecular Weight507.27 g/mol
Exact Mass505.00
IUPAC Name2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H18Cl3N3O2S.ClH/c21-13-1-3-16(23)15(11-13)19(27)26(6-5-25-7-9-28-10-8-25)20-24-17-4-2-14(22)12-18(17)29-20;/h1-4,11-12H,5-10H2;1H
InChIKeyGQKBVYSSOUHASB-UHFFFAOYSA-N
XLogP5.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.27
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933409
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride
CID 44933447
N-(6-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138107
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138104
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138110
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121047708
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138055
2,5-dichloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071851
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 29138797
2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
CID 29137942

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 44933425) is 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is Cl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is GQKBVYSSOUHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O2S.ClH/c21-13-1-3-16(23)15(11-13)19(27)26(6-5-25-7-9-28-10-8-25)20-24-17-4-2-14(22)12-18(17)29-20;/h1-4,11-12H,5-10H2;1H.
What are the key properties of 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 507.27 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 44933425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).