6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine

C11H7ClFN3S — CID 82487440

IUPAC6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESNc1csc2nc(-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-4-16-10(14)5-17-11(16)15-9/h1-5H,14H2
InChIKeyYFGJECCAQUZOGE-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.44
Rot. Bonds1

About 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine

6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine (PubChem CID 82487440) has the molecular formula C11H7ClFN3S and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
PubChem CID82487440
Molecular FormulaC11H7ClFN3S
Molecular Weight267.72 g/mol
Exact Mass267.00
IUPAC Name6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine
SMILESNc1csc2nc(-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-4-16-10(14)5-17-11(16)15-9/h1-5H,14H2
InChIKeyYFGJECCAQUZOGE-UHFFFAOYSA-N
XLogP3.44
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine (CID 82487440) is 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine is Nc1csc2nc(-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
The InChIKey is YFGJECCAQUZOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-4-16-10(14)5-17-11(16)15-9/h1-5H,14H2.
What are the key properties of 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine?
6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine has a molecular weight of 267.72 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-amine is sourced from PubChem (CID 82487440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).