(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol

C11H12N2O3S — CID 105096441

IUPAC(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cnsn2)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-10(16-2)8(5-7)11(14)9-6-12-17-13-9/h3-6,11,14H,1-2H3
InChIKeyUFWKHYZOSGNJBL-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.64
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol

(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105096441) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105096441
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCOc1ccc(OC)c(C(O)c2cnsn2)c1
InChIInChI=1S/C11H12N2O3S/c1-15-7-3-4-10(16-2)8(5-7)11(14)9-6-12-17-13-9/h3-6,11,14H,1-2H3
InChIKeyUFWKHYZOSGNJBL-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

(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(3,5-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61100568
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62801655
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
(2,3-dichlorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 61099199

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105096441) is (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol is COc1ccc(OC)c(C(O)c2cnsn2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is UFWKHYZOSGNJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-7-3-4-10(16-2)8(5-7)11(14)9-6-12-17-13-9/h3-6,11,14H,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol?
(2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-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 (2,5-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105096441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).