methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

C12H15N3O2S — CID 13015407

IUPACmethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)cn2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyHXSONEIRTIHZTJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.01
Rot. Bonds4

About methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (PubChem CID 13015407) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
PubChem CID13015407
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)cn2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyHXSONEIRTIHZTJ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The IUPAC name of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (CID 13015407) is methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The canonical SMILES for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is CCCSc1ccc2nc(NC(=O)OC)cn2c1.
What is the InChIKey of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The InChIKey is HXSONEIRTIHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16).
What are the key properties of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate has a molecular weight of 265.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 13015407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).