2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate

C16H16N4O2S — CID 67794030

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
SMILESCN(C(=O)OCCSc1cccc2nccn12)c1ccncc1
InChIInChI=1S/C16H16N4O2S/c1-19(13-5-7-17-8-6-13)16(21)22-11-12-23-15-4-2-3-14-18-9-10-20(14)15/h2-10H,11-12H2,1H3
InChIKeyOXFFTLUBCOIBRU-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.09
Rot. Bonds5

About 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate

2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate (PubChem CID 67794030) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
PubChem CID67794030
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
SMILESCN(C(=O)OCCSc1cccc2nccn12)c1ccncc1
InChIInChI=1S/C16H16N4O2S/c1-19(13-5-7-17-8-6-13)16(21)22-11-12-23-15-4-2-3-14-18-9-10-20(14)15/h2-10H,11-12H2,1H3
InChIKeyOXFFTLUBCOIBRU-UHFFFAOYSA-N
XLogP3.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate (CID 67794030) is 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate is CN(C(=O)OCCSc1cccc2nccn12)c1ccncc1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate?
The InChIKey is OXFFTLUBCOIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-19(13-5-7-17-8-6-13)16(21)22-11-12-23-15-4-2-3-14-18-9-10-20(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate?
2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate has a molecular weight of 328.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate is sourced from PubChem (CID 67794030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).