(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol

C11H12N2O3S — CID 105096021

IUPAC(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2cnns2)c(OC)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-8(9(5-7)16-2)11(14)10-6-12-13-17-10/h3-6,11,14H,1-2H3
InChIKeyJZXZEYGNQJAOMX-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.64
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol

(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol (PubChem CID 105096021) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
PubChem CID105096021
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2cnns2)c(OC)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-8(9(5-7)16-2)11(14)10-6-12-13-17-10/h3-6,11,14H,1-2H3
InChIKeyJZXZEYGNQJAOMX-UHFFFAOYSA-N
XLogP1.64
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634383

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol (CID 105096021) is (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol is COc1ccc(C(O)c2cnns2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol?
The InChIKey is JZXZEYGNQJAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-7-3-4-8(9(5-7)16-2)11(14)10-6-12-13-17-10/h3-6,11,14H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol?
(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol has a molecular weight of 252.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105096021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).