1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

C14H19F2N3S — CID 105174189

IUPAC1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N3S/c1-17-12(10-2-4-14(15,16)5-3-10)8-11-9-19-6-7-20-13(19)18-11/h6-7,9-10,12,17H,2-5,8H2,1H3
InChIKeyOABFRLNNHDFZEI-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.35
Rot. Bonds4

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

1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (PubChem CID 105174189) has the molecular formula C14H19F2N3S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
PubChem CID105174189
Molecular FormulaC14H19F2N3S
Molecular Weight299.39 g/mol
Exact Mass299.13
IUPAC Name1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N3S/c1-17-12(10-2-4-14(15,16)5-3-10)8-11-9-19-6-7-20-13(19)18-11/h6-7,9-10,12,17H,2-5,8H2,1H3
InChIKeyOABFRLNNHDFZEI-UHFFFAOYSA-N
XLogP3.35
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.35
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-yl-N-methylethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (CID 105174189) is 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is CNC(Cc1cn2ccsc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The InChIKey is OABFRLNNHDFZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3S/c1-17-12(10-2-4-14(15,16)5-3-10)8-11-9-19-6-7-20-13(19)18-11/h6-7,9-10,12,17H,2-5,8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine has a molecular weight of 299.39 g/mol, XLogP of 3.35, 4 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-yl-N-methylethanamine is sourced from PubChem (CID 105174189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).