5-(4-fluoroazepan-4-yl)-1,2-thiazole

C9H13FN2S — CID 130856979

IUPAC5-(4-fluoroazepan-4-yl)-1,2-thiazole
SMILESFC1(c2ccns2)CCCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(8-2-6-12-13-8)3-1-5-11-7-4-9/h2,6,11H,1,3-5,7H2
InChIKeyILZUAQUCPIKBMW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds1

About 5-(4-fluoroazepan-4-yl)-1,2-thiazole

5-(4-fluoroazepan-4-yl)-1,2-thiazole (PubChem CID 130856979) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(4-fluoroazepan-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-(4-fluoroazepan-4-yl)-1,2-thiazole
PubChem CID130856979
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-(4-fluoroazepan-4-yl)-1,2-thiazole
SMILESFC1(c2ccns2)CCCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(8-2-6-12-13-8)3-1-5-11-7-4-9/h2,6,11H,1,3-5,7H2
InChIKeyILZUAQUCPIKBMW-UHFFFAOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroazepan-4-yl)-1,2-thiazole?
The IUPAC name of 5-(4-fluoroazepan-4-yl)-1,2-thiazole (CID 130856979) is 5-(4-fluoroazepan-4-yl)-1,2-thiazole.
What is the SMILES notation for 5-(4-fluoroazepan-4-yl)-1,2-thiazole?
The canonical SMILES for 5-(4-fluoroazepan-4-yl)-1,2-thiazole is FC1(c2ccns2)CCCNCC1.
What is the InChIKey of 5-(4-fluoroazepan-4-yl)-1,2-thiazole?
The InChIKey is ILZUAQUCPIKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(8-2-6-12-13-8)3-1-5-11-7-4-9/h2,6,11H,1,3-5,7H2.
What are the key properties of 5-(4-fluoroazepan-4-yl)-1,2-thiazole?
5-(4-fluoroazepan-4-yl)-1,2-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroazepan-4-yl)-1,2-thiazole is sourced from PubChem (CID 130856979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).