6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole

C12H16FN3S — CID 103983870

IUPAC6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC1(Cc2cn3ccsc3n2)CCCNCC1
InChIInChI=1S/C12H16FN3S/c13-12(2-1-4-14-5-3-12)8-10-9-16-6-7-17-11(16)15-10/h6-7,9,14H,1-5,8H2
InChIKeyNNLINBVSGYFMGT-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.42
Rot. Bonds2

About 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 103983870) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID103983870
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC1(Cc2cn3ccsc3n2)CCCNCC1
InChIInChI=1S/C12H16FN3S/c13-12(2-1-4-14-5-3-12)8-10-9-16-6-7-17-11(16)15-10/h6-7,9,14H,1-5,8H2
InChIKeyNNLINBVSGYFMGT-UHFFFAOYSA-N
XLogP2.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 103983870) is 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole is FC1(Cc2cn3ccsc3n2)CCCNCC1.
What is the InChIKey of 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NNLINBVSGYFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c13-12(2-1-4-14-5-3-12)8-10-9-16-6-7-17-11(16)15-10/h6-7,9,14H,1-5,8H2.
What are the key properties of 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 253.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoroazepan-4-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 103983870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).