2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole

C12H12FNS — CID 20664385

IUPAC2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyNVOGUTWQSIQNAC-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole

2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole (PubChem CID 20664385) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
PubChem CID20664385
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3
InChIKeyNVOGUTWQSIQNAC-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole (CID 20664385) is 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is NVOGUTWQSIQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-8(2)11-7-15-12(14-11)9-3-5-10(13)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole?
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 221.30 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 20664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).