6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid

C12H15N3O4S — CID 167953738

IUPAC6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN3C(CCS3(=O)=O)C2)n1
InChIInChI=1S/C12H15N3O4S/c16-12(17)10-2-1-3-11(13-10)14-5-6-15-9(8-14)4-7-20(15,18)19/h1-3,9H,4-8H2,(H,16,17)
InChIKeyBRFCKNIMULECIK-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.00
Rot. Bonds2

About 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid

6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid (PubChem CID 167953738) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid
PubChem CID167953738
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN3C(CCS3(=O)=O)C2)n1
InChIInChI=1S/C12H15N3O4S/c16-12(17)10-2-1-3-11(13-10)14-5-6-15-9(8-14)4-7-20(15,18)19/h1-3,9H,4-8H2,(H,16,17)
InChIKeyBRFCKNIMULECIK-UHFFFAOYSA-N
XLogP0.00
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 122054919
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid (CID 167953738) is 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN3C(CCS3(=O)=O)C2)n1.
What is the InChIKey of 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid?
The InChIKey is BRFCKNIMULECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-12(17)10-2-1-3-11(13-10)14-5-6-15-9(8-14)4-7-20(15,18)19/h1-3,9H,4-8H2,(H,16,17).
What are the key properties of 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid?
6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 167953738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).