[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine

C12H9F2N3S — CID 82486603

IUPAC[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1ncc2scc(-c3ccc(F)c(F)c3)n12
InChIInChI=1S/C12H9F2N3S/c13-8-2-1-7(3-9(8)14)10-6-18-12-5-16-11(4-15)17(10)12/h1-3,5-6H,4,15H2
InChIKeyPOYHVDPAKYFCLB-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.80
Rot. Bonds2

About [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine

[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 82486603) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID82486603
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1ncc2scc(-c3ccc(F)c(F)c3)n12
InChIInChI=1S/C12H9F2N3S/c13-8-2-1-7(3-9(8)14)10-6-18-12-5-16-11(4-15)17(10)12/h1-3,5-6H,4,15H2
InChIKeyPOYHVDPAKYFCLB-UHFFFAOYSA-N
XLogP2.80
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.80
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[5,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine (CID 82486603) is [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine is NCc1ncc2scc(-c3ccc(F)c(F)c3)n12.
What is the InChIKey of [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is POYHVDPAKYFCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c13-8-2-1-7(3-9(8)14)10-6-18-12-5-16-11(4-15)17(10)12/h1-3,5-6H,4,15H2.
What are the key properties of [3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine?
[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 265.29 g/mol, XLogP of 2.80, 2 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[5,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 82486603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).