[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol

C17H14FNOS2 — CID 67869323

IUPAC[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol
SMILESOCc1cccc(SC(c2cccc(F)c2)c2nccs2)c1
InChIInChI=1S/C17H14FNOS2/c18-14-5-2-4-13(10-14)16(17-19-7-8-21-17)22-15-6-1-3-12(9-15)11-20/h1-10,16,20H,11H2
InChIKeyVNTCBTWXNZEDHE-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.66
Rot. Bonds5

About [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol

[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol (PubChem CID 67869323) has the molecular formula C17H14FNOS2 and a molecular weight of 331.44 g/mol. Its IUPAC name is [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol
PubChem CID67869323
Molecular FormulaC17H14FNOS2
Molecular Weight331.44 g/mol
Exact Mass331.05
IUPAC Name[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol
SMILESOCc1cccc(SC(c2cccc(F)c2)c2nccs2)c1
InChIInChI=1S/C17H14FNOS2/c18-14-5-2-4-13(10-14)16(17-19-7-8-21-17)22-15-6-1-3-12(9-15)11-20/h1-10,16,20H,11H2
InChIKeyVNTCBTWXNZEDHE-UHFFFAOYSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol?
The IUPAC name of [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol (CID 67869323) is [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol.
What is the SMILES notation for [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol?
The canonical SMILES for [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol is OCc1cccc(SC(c2cccc(F)c2)c2nccs2)c1.
What is the InChIKey of [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol?
The InChIKey is VNTCBTWXNZEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS2/c18-14-5-2-4-13(10-14)16(17-19-7-8-21-17)22-15-6-1-3-12(9-15)11-20/h1-10,16,20H,11H2.
What are the key properties of [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol?
[3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol has a molecular weight of 331.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]sulfanylphenyl]methanol is sourced from PubChem (CID 67869323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).