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

C7H8N6S2 — CID 13100985

IUPAC2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C7H8N6S2/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3/h1-2H,(H2,10,11)(H4,8,9,12,13)
InChIKeyGQOVTZHEZPKTGS-UHFFFAOYSA-N
MW240.32 g/mol
LogP0.75
Rot. Bonds2

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

2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13100985) has the molecular formula C7H8N6S2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID13100985
Molecular FormulaC7H8N6S2
Molecular Weight240.32 g/mol
Exact Mass240.03
IUPAC Name2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2csc(N)n2)cs1
InChIInChI=1S/C7H8N6S2/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3/h1-2H,(H2,10,11)(H4,8,9,12,13)
InChIKeyGQOVTZHEZPKTGS-UHFFFAOYSA-N
XLogP0.75
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
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-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine (CID 13100985) is 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2csc(N)n2)cs1.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is GQOVTZHEZPKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S2/c8-5(9)13-7-12-4(2-15-7)3-1-14-6(10)11-3/h1-2H,(H2,10,11)(H4,8,9,12,13).
What are the key properties of 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 240.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13100985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).