2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C13H14N4OS — CID 106922808

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Sc1nc(C)co1)CCC2
InChIInChI=1S/C13H14N4OS/c1-7-6-18-13(16-7)19-12-9(11(14)15)5-8-3-2-4-10(8)17-12/h5-6H,2-4H2,1H3,(H3,14,15)
InChIKeyRCWCGFORPZLUOM-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.30
Rot. Bonds3

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 106922808) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID106922808
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1Sc1nc(C)co1)CCC2
InChIInChI=1S/C13H14N4OS/c1-7-6-18-13(16-7)19-12-9(11(14)15)5-8-3-2-4-10(8)17-12/h5-6H,2-4H2,1H3,(H3,14,15)
InChIKeyRCWCGFORPZLUOM-UHFFFAOYSA-N
XLogP2.30
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 106922808) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1Sc1nc(C)co1)CCC2.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is RCWCGFORPZLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-7-6-18-13(16-7)19-12-9(11(14)15)5-8-3-2-4-10(8)17-12/h5-6H,2-4H2,1H3,(H3,14,15).
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 274.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 106922808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).