4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one

C8H11N3OS — CID 82398796

IUPAC4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
SMILESCc1nsc2c1C(N)CN(C)C2=O
InChIInChI=1S/C8H11N3OS/c1-4-6-5(9)3-11(2)8(12)7(6)13-10-4/h5H,3,9H2,1-2H3
InChIKeyCLKYGTTYKRYSFI-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.54
Rot. Bonds

About 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one

4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one (PubChem CID 82398796) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
PubChem CID82398796
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
SMILESCc1nsc2c1C(N)CN(C)C2=O
InChIInChI=1S/C8H11N3OS/c1-4-6-5(9)3-11(2)8(12)7(6)13-10-4/h5H,3,9H2,1-2H3
InChIKeyCLKYGTTYKRYSFI-UHFFFAOYSA-N
XLogP0.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
CID 155155071
ethane;N-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine-3-carboxamide
CID 155701893
3-Ethyl-5-methyl-6,7-dihydro-[1,2]thiazolo[4,5-c]pyridin-4-one
CID 57678042
N-methyl-4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridine-3-carboxamide
CID 139310892
3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 82399630
4-amino-3-methyl-5,6-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82407132
4-amino-5,6-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82412833
3-Methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 96628022

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one (CID 82398796) is 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one is Cc1nsc2c1C(N)CN(C)C2=O.
What is the InChIKey of 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one?
The InChIKey is CLKYGTTYKRYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-6-5(9)3-11(2)8(12)7(6)13-10-4/h5H,3,9H2,1-2H3.
What are the key properties of 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one?
4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one has a molecular weight of 197.26 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 82398796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).