2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate

C16H16N4O2S — CID 67745982

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1ccccn1)OCCSc1cccc2nccn12
InChIInChI=1S/C16H16N4O2S/c21-16(19-12-13-4-1-2-7-17-13)22-10-11-23-15-6-3-5-14-18-8-9-20(14)15/h1-9H,10-12H2,(H,19,21)
InChIKeyAAWSXBZQQOBJHC-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.75
Rot. Bonds6

About 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate

2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate (PubChem CID 67745982) 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-(pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate
PubChem CID67745982
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1ccccn1)OCCSc1cccc2nccn12
InChIInChI=1S/C16H16N4O2S/c21-16(19-12-13-4-1-2-7-17-13)22-10-11-23-15-6-3-5-14-18-8-9-20(14)15/h1-9H,10-12H2,(H,19,21)
InChIKeyAAWSXBZQQOBJHC-UHFFFAOYSA-N
XLogP2.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
CID 67794030
N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)pyridine-3-carboxamide
CID 23362816
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
CID 76849265
[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 143186995
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
1-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)indole-4-carboxamide
CID 71707694
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate (CID 67745982) is 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate is O=C(NCc1ccccn1)OCCSc1cccc2nccn12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate?
The InChIKey is AAWSXBZQQOBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(19-12-13-4-1-2-7-17-13)22-10-11-23-15-6-3-5-14-18-8-9-20(14)15/h1-9H,10-12H2,(H,19,21).
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate?
2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate has a molecular weight of 328.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 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-(pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 67745982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).