5-fluoro-2-hexan-3-yl-1,3-thiazole

C9H14FNS — CID 130468749

IUPAC5-fluoro-2-hexan-3-yl-1,3-thiazole
SMILESCCCC(CC)c1ncc(F)s1
InChIInChI=1S/C9H14FNS/c1-3-5-7(4-2)9-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3
InChIKeyFIVPROMZZMRMCT-UHFFFAOYSA-N
MW187.28 g/mol
LogP3.58
Rot. Bonds4

About 5-fluoro-2-hexan-3-yl-1,3-thiazole

5-fluoro-2-hexan-3-yl-1,3-thiazole (PubChem CID 130468749) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-fluoro-2-hexan-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-fluoro-2-hexan-3-yl-1,3-thiazole
PubChem CID130468749
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name5-fluoro-2-hexan-3-yl-1,3-thiazole
SMILESCCCC(CC)c1ncc(F)s1
InChIInChI=1S/C9H14FNS/c1-3-5-7(4-2)9-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3
InChIKeyFIVPROMZZMRMCT-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hexan-3-yl-1,3-thiazole?
The IUPAC name of 5-fluoro-2-hexan-3-yl-1,3-thiazole (CID 130468749) is 5-fluoro-2-hexan-3-yl-1,3-thiazole.
What is the SMILES notation for 5-fluoro-2-hexan-3-yl-1,3-thiazole?
The canonical SMILES for 5-fluoro-2-hexan-3-yl-1,3-thiazole is CCCC(CC)c1ncc(F)s1.
What is the InChIKey of 5-fluoro-2-hexan-3-yl-1,3-thiazole?
The InChIKey is FIVPROMZZMRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-3-5-7(4-2)9-11-6-8(10)12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-fluoro-2-hexan-3-yl-1,3-thiazole?
5-fluoro-2-hexan-3-yl-1,3-thiazole has a molecular weight of 187.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hexan-3-yl-1,3-thiazole is sourced from PubChem (CID 130468749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).