2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine

C11H13N3O2S — CID 117131128

IUPAC2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
SMILESNc1cccc2nc(C3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C11H13N3O2S/c12-10-2-1-3-11-13-9(6-14(10)11)8-4-5-17(15,16)7-8/h1-3,6,8H,4-5,7,12H2
InChIKeyTTYOFMAUTOOKQU-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.82
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine

2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 117131128) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
PubChem CID117131128
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
SMILESNc1cccc2nc(C3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C11H13N3O2S/c12-10-2-1-3-11-13-9(6-14(10)11)8-4-5-17(15,16)7-8/h1-3,6,8H,4-5,7,12H2
InChIKeyTTYOFMAUTOOKQU-UHFFFAOYSA-N
XLogP0.82
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245
2-(1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131313
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
2-(1-propan-2-ylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131294
2-(oxan-2-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131895
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142451
methyl 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117128873
(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83865905

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine (CID 117131128) is 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine is Nc1cccc2nc(C3CCS(=O)(=O)C3)cn12.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is TTYOFMAUTOOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-10-2-1-3-11-13-9(6-14(10)11)8-4-5-17(15,16)7-8/h1-3,6,8H,4-5,7,12H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine?
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 251.31 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 117131128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).