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

C11H8FNOS — CID 47057635

IUPAC(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyGGRLWHCLYNCIHQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.82
Rot. Bonds2

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

(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 47057635) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID47057635
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H8FNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyGGRLWHCLYNCIHQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone (CID 47057635) is (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is GGRLWHCLYNCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
(4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 47057635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).