2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole

C13H12FNS — CID 166636818

IUPAC2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole
SMILESCc1sc(C2(F)CC2)nc1-c1ccccc1
InChIInChI=1S/C13H12FNS/c1-9-11(10-5-3-2-4-6-10)15-12(16-9)13(14)7-8-13/h2-6H,7-8H2,1H3
InChIKeyWHXCCGKGUZDGKH-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.08
Rot. Bonds2

About 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole

2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole (PubChem CID 166636818) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole
PubChem CID166636818
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole
SMILESCc1sc(C2(F)CC2)nc1-c1ccccc1
InChIInChI=1S/C13H12FNS/c1-9-11(10-5-3-2-4-6-10)15-12(16-9)13(14)7-8-13/h2-6H,7-8H2,1H3
InChIKeyWHXCCGKGUZDGKH-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole (CID 166636818) is 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole is Cc1sc(C2(F)CC2)nc1-c1ccccc1.
What is the InChIKey of 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole?
The InChIKey is WHXCCGKGUZDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c1-9-11(10-5-3-2-4-6-10)15-12(16-9)13(14)7-8-13/h2-6H,7-8H2,1H3.
What are the key properties of 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole?
2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole has a molecular weight of 233.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclopropyl)-5-methyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 166636818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).