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

C6H6F3NS — CID 152791232

IUPAC4-ethyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCCc1ncsc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-2-4-5(6(7,8)9)11-3-10-4/h3H,2H2,1H3
InChIKeySHMADGAOSXATMQ-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.72
Rot. Bonds1

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

4-ethyl-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 152791232) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)-1,3-thiazole
PubChem CID152791232
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name4-ethyl-5-(trifluoromethyl)-1,3-thiazole
SMILESCCc1ncsc1C(F)(F)F
InChIInChI=1S/C6H6F3NS/c1-2-4-5(6(7,8)9)11-3-10-4/h3H,2H2,1H3
InChIKeySHMADGAOSXATMQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)-1,3-thiazole (CID 152791232) is 4-ethyl-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)-1,3-thiazole is CCc1ncsc1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SHMADGAOSXATMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-2-4-5(6(7,8)9)11-3-10-4/h3H,2H2,1H3.
What are the key properties of 4-ethyl-5-(trifluoromethyl)-1,3-thiazole?
4-ethyl-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 181.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 152791232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).