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

C11H7F2N3S — CID 82481126

IUPAC3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESNc1cn2c(-c3ccc(F)c(F)c3)csc2n1
InChIInChI=1S/C11H7F2N3S/c12-7-2-1-6(3-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2
InChIKeyUTAISQRTIZJCGU-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.92
Rot. Bonds1

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

3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 82481126) has the molecular formula C11H7F2N3S and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID82481126
Molecular FormulaC11H7F2N3S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESNc1cn2c(-c3ccc(F)c(F)c3)csc2n1
InChIInChI=1S/C11H7F2N3S/c12-7-2-1-6(3-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2
InChIKeyUTAISQRTIZJCGU-UHFFFAOYSA-N
XLogP2.92
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 82481126) is 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine is Nc1cn2c(-c3ccc(F)c(F)c3)csc2n1.
What is the InChIKey of 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is UTAISQRTIZJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3S/c12-7-2-1-6(3-8(7)13)9-5-17-11-15-10(14)4-16(9)11/h1-5H,14H2.
What are the key properties of 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine?
3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 251.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 82481126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).