2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine

C12H11ClN4S — CID 107495958

IUPAC2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C12H11ClN4S/c13-8-2-1-3-9-11(8)18-12(16-9)10-6-17(5-4-14)7-15-10/h1-3,6-7H,4-5,14H2
InChIKeyMNSLMCURKZEPED-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.77
Rot. Bonds3

About 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine

2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 107495958) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID107495958
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
SMILESNCCn1cnc(-c2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C12H11ClN4S/c13-8-2-1-3-9-11(8)18-12(16-9)10-6-17(5-4-14)7-15-10/h1-3,6-7H,4-5,14H2
InChIKeyMNSLMCURKZEPED-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine 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-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine (CID 107495958) is 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine is NCCn1cnc(-c2nc3cccc(Cl)c3s2)c1.
What is the InChIKey of 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is MNSLMCURKZEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-8-2-1-3-9-11(8)18-12(16-9)10-6-17(5-4-14)7-15-10/h1-3,6-7H,4-5,14H2.
What are the key properties of 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine?
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 278.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 107495958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).