2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine

C12H15N5OS — CID 141131372

IUPAC2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine
SMILESN#Cc1csc2c1CCN(C(=O)CCN=C(N)N)C2
InChIInChI=1S/C12H15N5OS/c13-5-8-7-19-10-6-17(4-2-9(8)10)11(18)1-3-16-12(14)15/h7H,1-4,6H2,(H4,14,15,16)
InChIKeyLMOIYSCWKVWQOJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.17
Rot. Bonds3

About 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine

2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine (PubChem CID 141131372) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine.

Molecular Properties

Compound Name2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine
PubChem CID141131372
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine
SMILESN#Cc1csc2c1CCN(C(=O)CCN=C(N)N)C2
InChIInChI=1S/C12H15N5OS/c13-5-8-7-19-10-6-17(4-2-9(8)10)11(18)1-3-16-12(14)15/h7H,1-4,6H2,(H4,14,15,16)
InChIKeyLMOIYSCWKVWQOJ-UHFFFAOYSA-N
XLogP0.17
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine with MolForge

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Related Compounds

6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131357
S-ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
CID 142686741
3-Cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-4-carboxamide
CID 173099519
1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 82508147

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine?
The IUPAC name of 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine (CID 141131372) is 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine.
What is the SMILES notation for 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine?
The canonical SMILES for 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine is N#Cc1csc2c1CCN(C(=O)CCN=C(N)N)C2.
What is the InChIKey of 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine?
The InChIKey is LMOIYSCWKVWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c13-5-8-7-19-10-6-17(4-2-9(8)10)11(18)1-3-16-12(14)15/h7H,1-4,6H2,(H4,14,15,16).
What are the key properties of 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine?
2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine has a molecular weight of 277.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-3-oxopropyl]guanidine is sourced from PubChem (CID 141131372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).