5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride

C18H18Cl2FN3O2S2 — CID 16805789

IUPAC5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H17ClFN3O2S2.ClH/c19-16-4-3-14(26-16)17(24)23(6-5-22-7-9-25-10-8-22)18-21-13-2-1-12(20)11-15(13)27-18;/h1-4,11H,5-10H2;1H
InChIKeyWGGWOGSWEMAWRB-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.55
Rot. Bonds5

About 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride

5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 16805789) has the molecular formula C18H18Cl2FN3O2S2 and a molecular weight of 462.40 g/mol. Its IUPAC name is 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID16805789
Molecular FormulaC18H18Cl2FN3O2S2
Molecular Weight462.40 g/mol
Exact Mass461.02
IUPAC Name5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H17ClFN3O2S2.ClH/c19-16-4-3-14(26-16)17(24)23(6-5-22-7-9-25-10-8-22)18-21-13-2-1-12(20)11-15(13)27-18;/h1-4,11H,5-10H2;1H
InChIKeyWGGWOGSWEMAWRB-UHFFFAOYSA-N
XLogP4.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622720
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 44935056
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29070280
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583130
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 18581758
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 25284148
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18581801
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138110
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 18583302
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 16805789) is 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1.
What is the InChIKey of 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is WGGWOGSWEMAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S2.ClH/c19-16-4-3-14(26-16)17(24)23(6-5-22-7-9-25-10-8-22)18-21-13-2-1-12(20)11-15(13)27-18;/h1-4,11H,5-10H2;1H.
What are the key properties of 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride?
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 462.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 16805789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).