2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

C8H11N5S2 — CID 5075259

IUPAC2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
SMILESN#CCCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)
InChIKeyFSKYYRZENXOYAP-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 5075259) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
PubChem CID5075259
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
SMILESN#CCCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)
InChIKeyFSKYYRZENXOYAP-UHFFFAOYSA-N
XLogP1.19
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine (CID 5075259) is 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine is N#CCCSCc1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is FSKYYRZENXOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13).
What are the key properties of 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 241.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 5075259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).