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

C11H12N2OS — CID 105091691

IUPAC(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
SMILESCc1ccc(C(O)c2cnns2)cc1C
InChIInChI=1S/C11H12N2OS/c1-7-3-4-9(5-8(7)2)11(14)10-6-12-13-15-10/h3-6,11,14H,1-2H3
InChIKeyIJAKAKLWXRCYTK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.24
Rot. Bonds2

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

(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol (PubChem CID 105091691) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
PubChem CID105091691
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol
SMILESCc1ccc(C(O)c2cnns2)cc1C
InChIInChI=1S/C11H12N2OS/c1-7-3-4-9(5-8(7)2)11(14)10-6-12-13-15-10/h3-6,11,14H,1-2H3
InChIKeyIJAKAKLWXRCYTK-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(3,4-dimethylphenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 129323058
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105096021
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
(R)-(4-amino-3-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804122
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol (CID 105091691) is (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol is Cc1ccc(C(O)c2cnns2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol?
The InChIKey is IJAKAKLWXRCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-4-9(5-8(7)2)11(14)10-6-12-13-15-10/h3-6,11,14H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol?
(3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol has a molecular weight of 220.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105091691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).