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

C10H10BrClN4S — CID 19057171

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S.BrH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H
InChIKeyTUCKQUULJGKSLP-UHFFFAOYSA-N
MW333.64 g/mol
LogP2.95
Rot. Bonds2

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

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (PubChem CID 19057171) has the molecular formula C10H10BrClN4S and a molecular weight of 333.64 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
PubChem CID19057171
Molecular FormulaC10H10BrClN4S
Molecular Weight333.64 g/mol
Exact Mass331.95
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C10H9ClN4S.BrH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H
InChIKeyTUCKQUULJGKSLP-UHFFFAOYSA-N
XLogP2.95
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide 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-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (CID 19057171) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is Br.NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The InChIKey is TUCKQUULJGKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S.BrH/c11-7-3-1-6(2-4-7)8-5-16-10(14-8)15-9(12)13;/h1-5H,(H4,12,13,14,15);1H.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide has a molecular weight of 333.64 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is sourced from PubChem (CID 19057171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).