2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine

C14H12N4O2S — CID 59808545

IUPAC2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(cc1Sc1nc3c(N)nccc3[nH]1)OCO2
InChIInChI=1S/C14H12N4O2S/c1-7-4-9-10(20-6-19-9)5-11(7)21-14-17-8-2-3-16-13(15)12(8)18-14/h2-5H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeySOVYTEOIFYUYII-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.73
Rot. Bonds2

About 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine

2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 59808545) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID59808545
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCc1cc2c(cc1Sc1nc3c(N)nccc3[nH]1)OCO2
InChIInChI=1S/C14H12N4O2S/c1-7-4-9-10(20-6-19-9)5-11(7)21-14-17-8-2-3-16-13(15)12(8)18-14/h2-5H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeySOVYTEOIFYUYII-UHFFFAOYSA-N
XLogP2.73
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine (CID 59808545) is 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine is Cc1cc2c(cc1Sc1nc3c(N)nccc3[nH]1)OCO2.
What is the InChIKey of 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is SOVYTEOIFYUYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-7-4-9-10(20-6-19-9)5-11(7)21-14-17-8-2-3-16-13(15)12(8)18-14/h2-5H,6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine?
2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 300.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 59808545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).