2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine

C8H14N4S2 — CID 21410033

IUPAC2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine
SMILESCc1nscc1CSCCN=C(N)N
InChIInChI=1S/C8H14N4S2/c1-6-7(5-14-12-6)4-13-3-2-11-8(9)10/h5H,2-4H2,1H3,(H4,9,10,11)
InChIKeyFOONSLWZDFKRJU-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.96
Rot. Bonds5

About 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine

2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine (PubChem CID 21410033) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine
PubChem CID21410033
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine
SMILESCc1nscc1CSCCN=C(N)N
InChIInChI=1S/C8H14N4S2/c1-6-7(5-14-12-6)4-13-3-2-11-8(9)10/h5H,2-4H2,1H3,(H4,9,10,11)
InChIKeyFOONSLWZDFKRJU-UHFFFAOYSA-N
XLogP0.96
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.96
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-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine?
The IUPAC name of 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine (CID 21410033) is 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine?
The canonical SMILES for 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine is Cc1nscc1CSCCN=C(N)N.
What is the InChIKey of 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine?
The InChIKey is FOONSLWZDFKRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-6-7(5-14-12-6)4-13-3-2-11-8(9)10/h5H,2-4H2,1H3,(H4,9,10,11).
What are the key properties of 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine?
2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine has a molecular weight of 230.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine is sourced from PubChem (CID 21410033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).