6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

C19H25BrN4O2S — CID 67719218

IUPAC6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCC2CCCN2)CC1
InChIInChI=1S/C19H25BrN4O2S/c20-14-10-16-18(22-11-14)27-19(26)24(16)12-17(25)23-8-5-13(6-9-23)3-4-15-2-1-7-21-15/h10-11,13,15,21H,1-9,12H2
InChIKeyMVBNSJYNYOLJHB-UHFFFAOYSA-N
MW453.41 g/mol
LogP2.99
Rot. Bonds5

About 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one

6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 67719218) has the molecular formula C19H25BrN4O2S and a molecular weight of 453.41 g/mol. Its IUPAC name is 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID67719218
Molecular FormulaC19H25BrN4O2S
Molecular Weight453.41 g/mol
Exact Mass452.09
IUPAC Name6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCC2CCCN2)CC1
InChIInChI=1S/C19H25BrN4O2S/c20-14-10-16-18(22-11-14)27-19(26)24(16)12-17(25)23-8-5-13(6-9-23)3-4-15-2-1-7-21-15/h10-11,13,15,21H,1-9,12H2
InChIKeyMVBNSJYNYOLJHB-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one with MolForge

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Related Compounds

6-Bromo-1-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 9846714
6-Bromo-1-[2-oxo-2-[4-[4-(prop-2-enylamino)butyl]piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388883
6-Bromo-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 15388888
6-Bromo-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718401
6-Bromo-1-[2-[4-(6-hydroxyhexyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718516
6-Bromo-1-[2-[4-(4-hydroxybutyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67718578
6-Bromo-1-[2-[4-(3-hydroxypropyl)piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 67719096
6-Bromo-1-[2-[4-[4-[methyl(prop-2-enyl)amino]butyl]piperidin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
CID 67721223
4-(6-bromo-2H-[1,3]thiazolo[5,4-b]pyridin-1-yl)-1-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 67721244
2-(6-Bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetaldehyde
CID 88381730
4-[1-[2-(6-Bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetyl]piperidin-4-yl]butyl methanesulfonate
CID 88383049
2-(6-Bromo-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)-2-[4-[4-[methyl(prop-2-enyl)amino]butyl]piperidin-1-yl]acetaldehyde;hydrochloride
CID 88383366

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 67719218) is 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is O=C(Cn1c(=O)sc2ncc(Br)cc21)N1CCC(CCC2CCCN2)CC1.
What is the InChIKey of 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is MVBNSJYNYOLJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2S/c20-14-10-16-18(22-11-14)27-19(26)24(16)12-17(25)23-8-5-13(6-9-23)3-4-15-2-1-7-21-15/h10-11,13,15,21H,1-9,12H2.
What are the key properties of 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one?
6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 453.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-oxo-2-[4-(2-pyrrolidin-2-ylethyl)piperidin-1-yl]ethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 67719218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).