2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole

C11H10FNS2 — CID 115649821

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CSc2ccccc2F)n1
InChIInChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyDUYNQJUHAZXLOP-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.88
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole

2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole (PubChem CID 115649821) has the molecular formula C11H10FNS2 and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
PubChem CID115649821
Molecular FormulaC11H10FNS2
Molecular Weight239.34 g/mol
Exact Mass239.02
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1csc(CSc2ccccc2F)n1
InChIInChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3
InChIKeyDUYNQJUHAZXLOP-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole (CID 115649821) is 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole is Cc1csc(CSc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The InChIKey is DUYNQJUHAZXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNS2/c1-8-6-15-11(13-8)7-14-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole?
2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole has a molecular weight of 239.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 115649821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).