[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C18H22ClN3O3S — CID 155976420

IUPAC[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cl)c2sc(N3CCCC(C(=O)N4CCOCC4)C3)nc12
InChIInChI=1S/C18H22ClN3O3S/c1-24-14-5-4-13(19)16-15(14)20-18(26-16)22-6-2-3-12(11-22)17(23)21-7-9-25-10-8-21/h4-5,12H,2-3,6-11H2,1H3
InChIKeyKXQTUHKEDJOYAA-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.03
Rot. Bonds3

About [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 155976420) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID155976420
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cl)c2sc(N3CCCC(C(=O)N4CCOCC4)C3)nc12
InChIInChI=1S/C18H22ClN3O3S/c1-24-14-5-4-13(19)16-15(14)20-18(26-16)22-6-2-3-12(11-22)17(23)21-7-9-25-10-8-21/h4-5,12H,2-3,6-11H2,1H3
InChIKeyKXQTUHKEDJOYAA-UHFFFAOYSA-N
XLogP3.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603590
4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)morpholine;hydrochloride
CID 16849828
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
[1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435704
(4-butylcyclohexyl)-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43994825
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 166606098
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
cyclohexyl-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7292682
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903711
[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 16861826
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171705298

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 155976420) is [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone is COc1ccc(Cl)c2sc(N3CCCC(C(=O)N4CCOCC4)C3)nc12.
What is the InChIKey of [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KXQTUHKEDJOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-24-14-5-4-13(19)16-15(14)20-18(26-16)22-6-2-3-12(11-22)17(23)21-7-9-25-10-8-21/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 395.91 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155976420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).