(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C13H12FNOS — CID 58038956

IUPAC(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNOS/c1-8(2)13-15-11(7-17-13)12(16)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyWVMFNZXALLEMKR-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.64
Rot. Bonds3

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

(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 58038956) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID58038956
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNOS/c1-8(2)13-15-11(7-17-13)12(16)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyWVMFNZXALLEMKR-UHFFFAOYSA-N
XLogP3.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 58038956) is (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is WVMFNZXALLEMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-8(2)13-15-11(7-17-13)12(16)9-3-5-10(14)6-4-9/h3-8H,1-2H3.
What are the key properties of (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
(4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 58038956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).