1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one

C10H12N2OS — CID 169135165

IUPAC1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2sc(C)nc2C1
InChIInChI=1S/C10H12N2OS/c1-3-10(13)12-5-4-9-8(6-12)11-7(2)14-9/h3H,1,4-6H2,2H3
InChIKeyFUUPUYJEOHNNHD-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.52
Rot. Bonds1

About 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one

1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one (PubChem CID 169135165) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
PubChem CID169135165
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2sc(C)nc2C1
InChIInChI=1S/C10H12N2OS/c1-3-10(13)12-5-4-9-8(6-12)11-7(2)14-9/h3H,1,4-6H2,2H3
InChIKeyFUUPUYJEOHNNHD-UHFFFAOYSA-N
XLogP1.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one (CID 169135165) is 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one is C=CC(=O)N1CCc2sc(C)nc2C1.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one?
The InChIKey is FUUPUYJEOHNNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-3-10(13)12-5-4-9-8(6-12)11-7(2)14-9/h3H,1,4-6H2,2H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one?
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one has a molecular weight of 208.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 169135165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).