2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine

C6H8N8S — CID 13100990

IUPAC2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2nc(N)n[nH]2)cs1
InChIInChI=1S/C6H8N8S/c7-4(8)12-6-10-2(1-15-6)3-11-5(9)14-13-3/h1H,(H4,7,8,10,12)(H3,9,11,13,14)
InChIKeyVQSANDFXYKDZIX-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.58
Rot. Bonds2

About 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine

2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13100990) has the molecular formula C6H8N8S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13100990
Molecular FormulaC6H8N8S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2nc(N)n[nH]2)cs1
InChIInChI=1S/C6H8N8S/c7-4(8)12-6-10-2(1-15-6)3-11-5(9)14-13-3/h1H,(H4,7,8,10,12)(H3,9,11,13,14)
InChIKeyVQSANDFXYKDZIX-UHFFFAOYSA-N
XLogP-0.58
TPSA144.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine (CID 13100990) is 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2nc(N)n[nH]2)cs1.
What is the InChIKey of 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is VQSANDFXYKDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8S/c7-4(8)12-6-10-2(1-15-6)3-11-5(9)14-13-3/h1H,(H4,7,8,10,12)(H3,9,11,13,14).
What are the key properties of 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 224.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13100990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).