[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol

C13H15NO2S2 — CID 82440591

IUPAC[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C13H15NO2S2/c1-16-8-11-12(7-15)18-13(14-11)9-17-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyBHXCYXILRJVXHK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.07
Rot. Bonds6

About [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol

[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82440591) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82440591
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C13H15NO2S2/c1-16-8-11-12(7-15)18-13(14-11)9-17-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyBHXCYXILRJVXHK-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol (CID 82440591) is [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(CSc2ccccc2)sc1CO.
What is the InChIKey of [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BHXCYXILRJVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-16-8-11-12(7-15)18-13(14-11)9-17-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 281.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82440591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).