4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole

C12H12FNS — CID 142101432

IUPAC4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FNS/c1-3-11-12(15-8(2)14-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3
InChIKeyPMSLWMVSVLAJGO-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.82
Rot. Bonds2

About 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole

4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole (PubChem CID 142101432) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
PubChem CID142101432
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
SMILESCCc1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FNS/c1-3-11-12(15-8(2)14-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3
InChIKeyPMSLWMVSVLAJGO-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole (CID 142101432) is 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole is CCc1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole?
The InChIKey is PMSLWMVSVLAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-3-11-12(15-8(2)14-11)9-4-6-10(13)7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole?
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole has a molecular weight of 221.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 142101432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).