2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

C10H12BrN5S — CID 18322948

IUPAC2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C10H11N5S.BrH/c11-7-3-1-2-6(4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,11H2,(H4,12,13,14,15);1H
InChIKeyZJDSLQZEAJEZJF-UHFFFAOYSA-N
MW314.21 g/mol
LogP1.88
Rot. Bonds2

About 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (PubChem CID 18322948) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
PubChem CID18322948
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC Name2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C10H11N5S.BrH/c11-7-3-1-2-6(4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,11H2,(H4,12,13,14,15);1H
InChIKeyZJDSLQZEAJEZJF-UHFFFAOYSA-N
XLogP1.88
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The IUPAC name of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (CID 18322948) is 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.
What is the SMILES notation for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The canonical SMILES for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is Br.NC(N)=Nc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The InChIKey is ZJDSLQZEAJEZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S.BrH/c11-7-3-1-2-6(4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,11H2,(H4,12,13,14,15);1H.
What are the key properties of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide has a molecular weight of 314.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is sourced from PubChem (CID 18322948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).