[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C19H22BrN3O2S — CID 46907697

IUPAC[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCOCC1
InChIInChI=1S/C19H22BrN3O2S/c20-16-3-1-14(2-4-16)17-13-26-19(21-17)23-7-5-15(6-8-23)18(24)22-9-11-25-12-10-22/h1-4,13,15H,5-12H2
InChIKeyKTORMKKPKFYHGB-UHFFFAOYSA-N
MW436.38 g/mol
LogP3.65
Rot. Bonds3

About [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 46907697) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID46907697
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCOCC1
InChIInChI=1S/C19H22BrN3O2S/c20-16-3-1-14(2-4-16)17-13-26-19(21-17)23-7-5-15(6-8-23)18(24)22-9-11-25-12-10-22/h1-4,13,15H,5-12H2
InChIKeyKTORMKKPKFYHGB-UHFFFAOYSA-N
XLogP3.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 46907697) is [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCOCC1.
What is the InChIKey of [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is KTORMKKPKFYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c20-16-3-1-14(2-4-16)17-13-26-19(21-17)23-7-5-15(6-8-23)18(24)22-9-11-25-12-10-22/h1-4,13,15H,5-12H2.
What are the key properties of [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 436.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46907697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).