methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

C15H14N4O2S — CID 22570399

IUPACmethyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ncc(Sc3cccc(C)c3)cc2[nH]1
InChIInChI=1S/C15H14N4O2S/c1-9-4-3-5-10(6-9)22-11-7-12-13(16-8-11)18-14(17-12)19-15(20)21-2/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeyMHOKSXDPQKGZGI-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.60
Rot. Bonds3

About methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 22570399) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID22570399
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Namemethyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ncc(Sc3cccc(C)c3)cc2[nH]1
InChIInChI=1S/C15H14N4O2S/c1-9-4-3-5-10(6-9)22-11-7-12-13(16-8-11)18-14(17-12)19-15(20)21-2/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeyMHOKSXDPQKGZGI-UHFFFAOYSA-N
XLogP3.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 22570399) is methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is COC(=O)Nc1nc2ncc(Sc3cccc(C)c3)cc2[nH]1.
What is the InChIKey of methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is MHOKSXDPQKGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-4-3-5-10(6-9)22-11-7-12-13(16-8-11)18-14(17-12)19-15(20)21-2/h3-8H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 314.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 22570399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).