2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine

C7H12N4OS — CID 20567573

IUPAC2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine
SMILESNC(N)=NCCCSc1ncco1
InChIInChI=1S/C7H12N4OS/c8-6(9)10-2-1-5-13-7-11-3-4-12-7/h3-4H,1-2,5H2,(H4,8,9,10)
InChIKeyRWSHDYNPSOMWBO-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.43
Rot. Bonds5

About 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine

2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine (PubChem CID 20567573) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine
PubChem CID20567573
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine
SMILESNC(N)=NCCCSc1ncco1
InChIInChI=1S/C7H12N4OS/c8-6(9)10-2-1-5-13-7-11-3-4-12-7/h3-4H,1-2,5H2,(H4,8,9,10)
InChIKeyRWSHDYNPSOMWBO-UHFFFAOYSA-N
XLogP0.43
TPSA90.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine?
The IUPAC name of 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine (CID 20567573) is 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine.
What is the SMILES notation for 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine?
The canonical SMILES for 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine is NC(N)=NCCCSc1ncco1.
What is the InChIKey of 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine?
The InChIKey is RWSHDYNPSOMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-6(9)10-2-1-5-13-7-11-3-4-12-7/h3-4H,1-2,5H2,(H4,8,9,10).
What are the key properties of 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine?
2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine has a molecular weight of 200.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-oxazol-2-ylsulfanyl)propyl]guanidine is sourced from PubChem (CID 20567573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).