4-ethyl-5-(3-fluorophenyl)-1,3-thiazole

C11H10FNS — CID 71132469

IUPAC4-ethyl-5-(3-fluorophenyl)-1,3-thiazole
SMILESCCc1ncsc1-c1cccc(F)c1
InChIInChI=1S/C11H10FNS/c1-2-10-11(14-7-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3
InChIKeyKTJPMBFZZOMSBQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.51
Rot. Bonds2

About 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole

4-ethyl-5-(3-fluorophenyl)-1,3-thiazole (PubChem CID 71132469) has the molecular formula C11H10FNS and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-(3-fluorophenyl)-1,3-thiazole
PubChem CID71132469
Molecular FormulaC11H10FNS
Molecular Weight207.27 g/mol
Exact Mass207.05
IUPAC Name4-ethyl-5-(3-fluorophenyl)-1,3-thiazole
SMILESCCc1ncsc1-c1cccc(F)c1
InChIInChI=1S/C11H10FNS/c1-2-10-11(14-7-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3
InChIKeyKTJPMBFZZOMSBQ-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole (CID 71132469) is 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole is CCc1ncsc1-c1cccc(F)c1.
What is the InChIKey of 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole?
The InChIKey is KTJPMBFZZOMSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS/c1-2-10-11(14-7-13-10)8-4-3-5-9(12)6-8/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole?
4-ethyl-5-(3-fluorophenyl)-1,3-thiazole has a molecular weight of 207.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 71132469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).