1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine

C18H20FN3S — CID 46965917

IUPAC1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1nc2sccn2c1CNC1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H20FN3S/c1-13-16(22-10-11-23-17(22)21-13)12-20-18(8-4-5-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,10-11,20H,4-5,8-9,12H2,1H3
InChIKeyXOIQNQSDDKBRGM-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.40
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine

1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 46965917) has the molecular formula C18H20FN3S and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID46965917
Molecular FormulaC18H20FN3S
Molecular Weight329.44 g/mol
Exact Mass329.14
IUPAC Name1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine
SMILESCc1nc2sccn2c1CNC1(c2ccccc2F)CCCC1
InChIInChI=1S/C18H20FN3S/c1-13-16(22-10-11-23-17(22)21-13)12-20-18(8-4-5-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,10-11,20H,4-5,8-9,12H2,1H3
InChIKeyXOIQNQSDDKBRGM-UHFFFAOYSA-N
XLogP4.40
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine (CID 46965917) is 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine is Cc1nc2sccn2c1CNC1(c2ccccc2F)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is XOIQNQSDDKBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3S/c1-13-16(22-10-11-23-17(22)21-13)12-20-18(8-4-5-9-18)14-6-2-3-7-15(14)19/h2-3,6-7,10-11,20H,4-5,8-9,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine?
1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 46965917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).