1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C13H17F2N3S — CID 105174178

IUPAC1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3S/c14-13(15)3-1-9(2-4-13)11(16)7-10-8-18-5-6-19-12(18)17-10/h5-6,8-9,11H,1-4,7,16H2
InChIKeyIPIRFAZWGUTWLA-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.09
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 105174178) has the molecular formula C13H17F2N3S and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID105174178
Molecular FormulaC13H17F2N3S
Molecular Weight285.36 g/mol
Exact Mass285.11
IUPAC Name1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3S/c14-13(15)3-1-9(2-4-13)11(16)7-10-8-18-5-6-19-12(18)17-10/h5-6,8-9,11H,1-4,7,16H2
InChIKeyIPIRFAZWGUTWLA-UHFFFAOYSA-N
XLogP3.09
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 105174178) is 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is NC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is IPIRFAZWGUTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3S/c14-13(15)3-1-9(2-4-13)11(16)7-10-8-18-5-6-19-12(18)17-10/h5-6,8-9,11H,1-4,7,16H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 105174178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).