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

C11H7ClFN3S — CID 82487439

IUPAC3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESNc1cn2c(-c3ccc(F)c(Cl)c3)csc2n1
InChIInChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2
InChIKeySNMMWJCRPIEYKR-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.44
Rot. Bonds1

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

3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 82487439) has the molecular formula C11H7ClFN3S and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID82487439
Molecular FormulaC11H7ClFN3S
Molecular Weight267.72 g/mol
Exact Mass267.00
IUPAC Name3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESNc1cn2c(-c3ccc(F)c(Cl)c3)csc2n1
InChIInChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2
InChIKeySNMMWJCRPIEYKR-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 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 82487439) is 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine is Nc1cn2c(-c3ccc(F)c(Cl)c3)csc2n1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SNMMWJCRPIEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3S/c12-7-3-6(1-2-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-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 3-(3-chloro-4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 82487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).