2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

C10H10FNS2 — CID 19727695

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc(CSC2=NCCS2)c1
InChIInChI=1S/C10H10FNS2/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2
InChIKeyWIUTTXFDZMMYRU-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.16
Rot. Bonds2

About 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 19727695) has the molecular formula C10H10FNS2 and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID19727695
Molecular FormulaC10H10FNS2
Molecular Weight227.33 g/mol
Exact Mass227.02
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc(CSC2=NCCS2)c1
InChIInChI=1S/C10H10FNS2/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2
InChIKeyWIUTTXFDZMMYRU-UHFFFAOYSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 19727695) is 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is Fc1cccc(CSC2=NCCS2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is WIUTTXFDZMMYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS2/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 227.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 19727695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).