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

C20H19Cl3FN3O2S — CID 44933068

IUPAC2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C20H18Cl2FN3O2S.ClH/c21-13-4-5-15(22)14(12-13)19(27)26(7-6-25-8-10-28-11-9-25)20-24-18-16(23)2-1-3-17(18)29-20;/h1-5,12H,6-11H2;1H
InChIKeyHZZUMKFXGKWDEL-UHFFFAOYSA-N
MW490.82 g/mol
LogP5.14
Rot. Bonds5

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

2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 44933068) has the molecular formula C20H19Cl3FN3O2S and a molecular weight of 490.82 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID44933068
Molecular FormulaC20H19Cl3FN3O2S
Molecular Weight490.82 g/mol
Exact Mass489.02
IUPAC Name2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C20H18Cl2FN3O2S.ClH/c21-13-4-5-15(22)14(12-13)19(27)26(7-6-25-8-10-28-11-9-25)20-24-18-16(23)2-1-3-17(18)29-20;/h1-5,12H,6-11H2;1H
InChIKeyHZZUMKFXGKWDEL-UHFFFAOYSA-N
XLogP5.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 55.14
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
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide
CID 29069865
2,5-dichloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071851
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583130
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161
2-(2,4-dichlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137710
3-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319351
5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 18583127
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934888

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 44933068) is 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is Cl.O=C(c1cc(Cl)ccc1Cl)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is HZZUMKFXGKWDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2S.ClH/c21-13-4-5-15(22)14(12-13)19(27)26(7-6-25-8-10-28-11-9-25)20-24-18-16(23)2-1-3-17(18)29-20;/h1-5,12H,6-11H2;1H.
What are the key properties of 2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 490.82 g/mol, XLogP of 5.14, 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-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 44933068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).