(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C10H16N2O3S — CID 66605480

IUPAC(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCC1(C)SC2CC[C@H](N)C(=O)N2[C@@H]1C(=O)O
InChIInChI=1S/C10H16N2O3S/c1-10(2)7(9(14)15)12-6(16-10)4-3-5(11)8(12)13/h5-7H,3-4,11H2,1-2H3,(H,14,15)/t5-,6?,7+/m0/s1
InChIKeyAILSIILJRNTHRV-REJBHVJUSA-N
MW244.32 g/mol
LogP0.24
Rot. Bonds1

About (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 66605480) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
PubChem CID66605480
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCC1(C)SC2CC[C@H](N)C(=O)N2[C@@H]1C(=O)O
InChIInChI=1S/C10H16N2O3S/c1-10(2)7(9(14)15)12-6(16-10)4-3-5(11)8(12)13/h5-7H,3-4,11H2,1-2H3,(H,14,15)/t5-,6?,7+/m0/s1
InChIKeyAILSIILJRNTHRV-REJBHVJUSA-N
XLogP0.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The IUPAC name of (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 66605480) is (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is CC1(C)SC2CC[C@H](N)C(=O)N2[C@@H]1C(=O)O.
What is the InChIKey of (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The InChIKey is AILSIILJRNTHRV-REJBHVJUSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2)7(9(14)15)12-6(16-10)4-3-5(11)8(12)13/h5-7H,3-4,11H2,1-2H3,(H,14,15)/t5-,6?,7+/m0/s1.
What are the key properties of (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 66605480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).