1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone

C13H17BrN2OS — CID 170947205

IUPAC1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCc2nc(Br)sc2C1
InChIInChI=1S/C13H17BrN2OS/c14-13-15-10-5-6-16(8-11(10)18-13)12(17)7-9-3-1-2-4-9/h9H,1-8H2
InChIKeyFYZKVGOFUDENCX-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.37
Rot. Bonds2

About 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone

1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone (PubChem CID 170947205) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone.

Molecular Properties

Compound Name1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
PubChem CID170947205
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCc2nc(Br)sc2C1
InChIInChI=1S/C13H17BrN2OS/c14-13-15-10-5-6-16(8-11(10)18-13)12(17)7-9-3-1-2-4-9/h9H,1-8H2
InChIKeyFYZKVGOFUDENCX-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone with MolForge

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Related Compounds

1-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529300
N-[5-(2-cyclopropylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methanesulfonamide
CID 128524025
N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527367
2-(oxan-4-yl)-1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 71713322
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
tert-butyl 7-[tert-butyl(dimethyl)silyl]oxy-9-[5-(2-cyclopentylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 170947377
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
N-[5-(3-cyclohexylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90531966
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;hydrobromide
CID 11483833
2-cyclopentyloxy-1-[2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 170947553
6-(2-cyclopentylacetyl)-2-[(2R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891746

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone?
The IUPAC name of 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone (CID 170947205) is 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone.
What is the SMILES notation for 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone?
The canonical SMILES for 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCc2nc(Br)sc2C1.
What is the InChIKey of 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone?
The InChIKey is FYZKVGOFUDENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c14-13-15-10-5-6-16(8-11(10)18-13)12(17)7-9-3-1-2-4-9/h9H,1-8H2.
What are the key properties of 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone?
1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone has a molecular weight of 329.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone is sourced from PubChem (CID 170947205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).