6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C15H18BrN3O3S — CID 15388888

IUPAC6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCO)CC1
InChIInChI=1S/C15H18BrN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2
InChIKeyUYJHVRUHAHCVBM-UHFFFAOYSA-N
MW400.30 g/mol
LogP1.84
Rot. Bonds4

About 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 15388888) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID15388888
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCO)CC1
InChIInChI=1S/C15H18BrN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2
InChIKeyUYJHVRUHAHCVBM-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 15388888) is 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCO)CC1.
What is the InChIKey of 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is UYJHVRUHAHCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c16-11-7-12-14(17-8-11)23-15(22)19(12)9-13(21)18-4-1-10(2-5-18)3-6-20/h7-8,10,20H,1-6,9H2.
What are the key properties of 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 400.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 15388888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).