2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol

C10H8FNOS2 — CID 130501476

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyMQQIXNVDNHOUQM-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.28
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol

2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (PubChem CID 130501476) has the molecular formula C10H8FNOS2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
PubChem CID130501476
Molecular FormulaC10H8FNOS2
Molecular Weight241.31 g/mol
Exact Mass241.00
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyMQQIXNVDNHOUQM-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (CID 130501476) is 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is Oc1csc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The InChIKey is MQQIXNVDNHOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol has a molecular weight of 241.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).