(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol

C13H16N2O3S — CID 105094432

IUPAC(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
SMILESCCOc1ccc(C(O)c2cnns2)cc1OCC
InChIInChI=1S/C13H16N2O3S/c1-3-17-10-6-5-9(7-11(10)18-4-2)13(16)12-8-14-15-19-12/h5-8,13,16H,3-4H2,1-2H3
InChIKeyBXISGEANKTWDDK-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.42
Rot. Bonds6

About (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol

(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol (PubChem CID 105094432) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
PubChem CID105094432
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
SMILESCCOc1ccc(C(O)c2cnns2)cc1OCC
InChIInChI=1S/C13H16N2O3S/c1-3-17-10-6-5-9(7-11(10)18-4-2)13(16)12-8-14-15-19-12/h5-8,13,16H,3-4H2,1-2H3
InChIKeyBXISGEANKTWDDK-UHFFFAOYSA-N
XLogP2.42
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
CID 105091691
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(3,4-diethoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66134131
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol (CID 105094432) is (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol is CCOc1ccc(C(O)c2cnns2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol?
The InChIKey is BXISGEANKTWDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-17-10-6-5-9(7-11(10)18-4-2)13(16)12-8-14-15-19-12/h5-8,13,16H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol?
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol has a molecular weight of 280.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105094432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).