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

C20H20Cl3N3O2S — CID 44933409

IUPAC2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17-18(13-14)28-20(23-17)25(8-7-24-9-11-27-12-10-24)19(26)15-3-1-2-4-16(15)22;/h1-6,13H,7-12H2;1H
InChIKeyDNUUDXQPGFXEOL-UHFFFAOYSA-N
MW472.83 g/mol
LogP5.00
Rot. Bonds5

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

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 44933409) has the molecular formula C20H20Cl3N3O2S and a molecular weight of 472.83 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID44933409
Molecular FormulaC20H20Cl3N3O2S
Molecular Weight472.83 g/mol
Exact Mass471.03
IUPAC Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17-18(13-14)28-20(23-17)25(8-7-24-9-11-27-12-10-24)19(26)15-3-1-2-4-16(15)22;/h1-6,13H,7-12H2;1H
InChIKeyDNUUDXQPGFXEOL-UHFFFAOYSA-N
XLogP5.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
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-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121047708
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)-4-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138107
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)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138110
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935094
2-methylsulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29278473
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935945
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 44933409) is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is Cl.O=C(c1ccccc1Cl)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is DNUUDXQPGFXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S.ClH/c21-14-5-6-17-18(13-14)28-20(23-17)25(8-7-24-9-11-27-12-10-24)19(26)15-3-1-2-4-16(15)22;/h1-6,13H,7-12H2;1H.
What are the key properties of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 472.83 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 44933409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).