[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C16H18FN3S — CID 39196560

IUPAC[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc2scc(-c3ccc(F)cc3)n2c1CN
InChIInChI=1S/C16H18FN3S/c1-16(2,3)14-12(8-18)20-13(9-21-15(20)19-14)10-4-6-11(17)7-5-10/h4-7,9H,8,18H2,1-3H3
InChIKeyOSLWIJGABMMFGM-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.96
Rot. Bonds2

About [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39196560) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39196560
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc2scc(-c3ccc(F)cc3)n2c1CN
InChIInChI=1S/C16H18FN3S/c1-16(2,3)14-12(8-18)20-13(9-21-15(20)19-14)10-4-6-11(17)7-5-10/h4-7,9H,8,18H2,1-3H3
InChIKeyOSLWIJGABMMFGM-UHFFFAOYSA-N
XLogP3.96
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39196560) is [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is CC(C)(C)c1nc2scc(-c3ccc(F)cc3)n2c1CN.
What is the InChIKey of [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is OSLWIJGABMMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-16(2,3)14-12(8-18)20-13(9-21-15(20)19-14)10-4-6-11(17)7-5-10/h4-7,9H,8,18H2,1-3H3.
What are the key properties of [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39196560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).