methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

C15H13N3O2S — CID 13015366

IUPACmethyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1cn2cccc(Sc3ccccc3)c2n1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)17-13-10-18-9-5-8-12(14(18)16-13)21-11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)
InChIKeyUAFAJQVKJMMAMM-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.66
Rot. Bonds3

About methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (PubChem CID 13015366) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
PubChem CID13015366
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Namemethyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1cn2cccc(Sc3ccccc3)c2n1
InChIInChI=1S/C15H13N3O2S/c1-20-15(19)17-13-10-18-9-5-8-12(14(18)16-13)21-11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)
InChIKeyUAFAJQVKJMMAMM-UHFFFAOYSA-N
XLogP3.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The IUPAC name of methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (CID 13015366) is methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.
What is the SMILES notation for methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The canonical SMILES for methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is COC(=O)Nc1cn2cccc(Sc3ccccc3)c2n1.
What is the InChIKey of methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The InChIKey is UAFAJQVKJMMAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-15(19)17-13-10-18-9-5-8-12(14(18)16-13)21-11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19).
What are the key properties of methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate has a molecular weight of 299.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 13015366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).