2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine

C7H12N4S2 — CID 20567731

IUPAC2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
SMILESNC(N)=NCCSCc1nccs1
InChIInChI=1S/C7H12N4S2/c8-7(9)11-1-3-12-5-6-10-2-4-13-6/h2,4H,1,3,5H2,(H4,8,9,11)
InChIKeyWRTVKLOTXROGKS-UHFFFAOYSA-N
MW216.34 g/mol
LogP0.65
Rot. Bonds5

About 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine

2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine (PubChem CID 20567731) has the molecular formula C7H12N4S2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
PubChem CID20567731
Molecular FormulaC7H12N4S2
Molecular Weight216.34 g/mol
Exact Mass216.05
IUPAC Name2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
SMILESNC(N)=NCCSCc1nccs1
InChIInChI=1S/C7H12N4S2/c8-7(9)11-1-3-12-5-6-10-2-4-13-6/h2,4H,1,3,5H2,(H4,8,9,11)
InChIKeyWRTVKLOTXROGKS-UHFFFAOYSA-N
XLogP0.65
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 50.65
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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Related Compounds

2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride
CID 21446953
2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
CID 54339906
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111465994
carbamothioic S-acid;methane;2-(1,3-thiazol-2-ylmethylsulfanyl)ethylcarbamothioic S-acid
CID 88679811
1-hydroxy-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 173446355
2-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]guanidine
CID 21410033
2-[2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethyl]guanidine
CID 141061614
N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide
CID 63245026
N-[2-[(3-chloro-2-pyridinyl)methylsulfanyl]ethyl]-2,2-dicyano-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
CID 54115598
2-but-3-ynyl-1-cyano-3-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 54304952
3-(methylamino)-3-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]prop-2-enenitrile
CID 70541836

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine (CID 20567731) is 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine is NC(N)=NCCSCc1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The InChIKey is WRTVKLOTXROGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c8-7(9)11-1-3-12-5-6-10-2-4-13-6/h2,4H,1,3,5H2,(H4,8,9,11).
What are the key properties of 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine has a molecular weight of 216.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine is sourced from PubChem (CID 20567731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).