N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine

C13H17N3O2S — CID 60702940

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCc2cn3ccccc3n2)CCS(=O)(=O)C1
InChIInChI=1S/C13H17N3O2S/c1-13(5-7-19(17,18)10-13)14-8-11-9-16-6-3-2-4-12(16)15-11/h2-4,6,9,14H,5,7-8,10H2,1H3
InChIKeyAPGQUZJDWHGTPB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.00
Rot. Bonds3

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 60702940) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID60702940
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NCc2cn3ccccc3n2)CCS(=O)(=O)C1
InChIInChI=1S/C13H17N3O2S/c1-13(5-7-19(17,18)10-13)14-8-11-9-16-6-3-2-4-12(16)15-11/h2-4,6,9,14H,5,7-8,10H2,1H3
InChIKeyAPGQUZJDWHGTPB-UHFFFAOYSA-N
XLogP1.00
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)cyclopropyl]methanol
CID 115762997
3-methyl-1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 43234302
N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679927
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylcyclopropan-1-amine
CID 62398148
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 9373371
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
(3R)-N-[(3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 129364703
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 71757293

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine (CID 60702940) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine is CC1(NCc2cn3ccccc3n2)CCS(=O)(=O)C1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is APGQUZJDWHGTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(5-7-19(17,18)10-13)14-8-11-9-16-6-3-2-4-12(16)15-11/h2-4,6,9,14H,5,7-8,10H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 279.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 60702940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).