N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane

C13H21N3S — CID 157046698

IUPACN-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane
SMILESCC(C)C.CC(NS)c1ccc2nccn2c1
InChIInChI=1S/C9H11N3S.C4H10/c1-7(11-13)8-2-3-9-10-4-5-12(9)6-8;1-4(2)3/h2-7,11,13H,1H3;4H,1-3H3
InChIKeyPQQQKVGRYPVZMA-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.49
Rot. Bonds2

About N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane

N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane (PubChem CID 157046698) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane
PubChem CID157046698
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane
SMILESCC(C)C.CC(NS)c1ccc2nccn2c1
InChIInChI=1S/C9H11N3S.C4H10/c1-7(11-13)8-2-3-9-10-4-5-12(9)6-8;1-4(2)3/h2-7,11,13H,1H3;4H,1-3H3
InChIKeyPQQQKVGRYPVZMA-UHFFFAOYSA-N
XLogP3.49
TPSA29.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane?
The IUPAC name of N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane (CID 157046698) is N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane?
The canonical SMILES for N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane is CC(C)C.CC(NS)c1ccc2nccn2c1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane?
The InChIKey is PQQQKVGRYPVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S.C4H10/c1-7(11-13)8-2-3-9-10-4-5-12(9)6-8;1-4(2)3/h2-7,11,13H,1H3;4H,1-3H3.
What are the key properties of N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane?
N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane has a molecular weight of 251.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyridin-6-ylethyl)thiohydroxylamine;2-methylpropane is sourced from PubChem (CID 157046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).