[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C17H20BrN3O2S — CID 165435612

IUPAC[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc3ccc(Br)cc3s2)CC1)N1CCOCC1
InChIInChI=1S/C17H20BrN3O2S/c18-13-1-2-14-15(11-13)24-17(19-14)21-5-3-12(4-6-21)16(22)20-7-9-23-10-8-20/h1-2,11-12H,3-10H2
InChIKeyCBXVZNGSCQUFDT-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.13
Rot. Bonds2

About [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 165435612) has the molecular formula C17H20BrN3O2S and a molecular weight of 410.34 g/mol. Its IUPAC name is [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID165435612
Molecular FormulaC17H20BrN3O2S
Molecular Weight410.34 g/mol
Exact Mass409.05
IUPAC Name[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc3ccc(Br)cc3s2)CC1)N1CCOCC1
InChIInChI=1S/C17H20BrN3O2S/c18-13-1-2-14-15(11-13)24-17(19-14)21-5-3-12(4-6-21)16(22)20-7-9-23-10-8-20/h1-2,11-12H,3-10H2
InChIKeyCBXVZNGSCQUFDT-UHFFFAOYSA-N
XLogP3.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20886642
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 165435612) is [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2nc3ccc(Br)cc3s2)CC1)N1CCOCC1.
What is the InChIKey of [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CBXVZNGSCQUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2S/c18-13-1-2-14-15(11-13)24-17(19-14)21-5-3-12(4-6-21)16(22)20-7-9-23-10-8-20/h1-2,11-12H,3-10H2.
What are the key properties of [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 410.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165435612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).