[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol

C16H15NO2S2 — CID 110006833

IUPAC[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSCc2csc(-c3ccoc3)n2)cc1
InChIInChI=1S/C16H15NO2S2/c18-7-12-1-3-13(4-2-12)9-20-10-15-11-21-16(17-15)14-5-6-19-8-14/h1-6,8,11,18H,7,9-10H2
InChIKeyTTXAQHSJQPJPEV-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.33
Rot. Bonds6

About [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol

[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol (PubChem CID 110006833) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
PubChem CID110006833
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC Name[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol
SMILESOCc1ccc(CSCc2csc(-c3ccoc3)n2)cc1
InChIInChI=1S/C16H15NO2S2/c18-7-12-1-3-13(4-2-12)9-20-10-15-11-21-16(17-15)14-5-6-19-8-14/h1-6,8,11,18H,7,9-10H2
InChIKeyTTXAQHSJQPJPEV-UHFFFAOYSA-N
XLogP4.33
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The IUPAC name of [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol (CID 110006833) is [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol is OCc1ccc(CSCc2csc(-c3ccoc3)n2)cc1.
What is the InChIKey of [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
The InChIKey is TTXAQHSJQPJPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c18-7-12-1-3-13(4-2-12)9-20-10-15-11-21-16(17-15)14-5-6-19-8-14/h1-6,8,11,18H,7,9-10H2.
What are the key properties of [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol?
[4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol has a molecular weight of 317.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]phenyl]methanol is sourced from PubChem (CID 110006833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).