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

C10H8FNS2 — CID 155030852

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccc(SCc2cscn2)cc1
InChIInChI=1S/C10H8FNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2
InChIKeyNCRDQIHOFJMKKA-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.57
Rot. Bonds3

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

4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 155030852) has the molecular formula C10H8FNS2 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID155030852
Molecular FormulaC10H8FNS2
Molecular Weight225.31 g/mol
Exact Mass225.01
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccc(SCc2cscn2)cc1
InChIInChI=1S/C10H8FNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2
InChIKeyNCRDQIHOFJMKKA-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 155030852) is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole is Fc1ccc(SCc2cscn2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is NCRDQIHOFJMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS2/c11-8-1-3-10(4-2-8)14-6-9-5-13-7-12-9/h1-5,7H,6H2.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 225.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 155030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).