(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol

C9H6Cl2N2OS — CID 105133310

IUPAC(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1csnn1
InChIInChI=1S/C9H6Cl2N2OS/c10-6-2-1-5(3-7(6)11)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyWGPPPYQMIVZAGE-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.93
Rot. Bonds2

About (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol

(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol (PubChem CID 105133310) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
PubChem CID105133310
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)c1csnn1
InChIInChI=1S/C9H6Cl2N2OS/c10-6-2-1-5(3-7(6)11)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyWGPPPYQMIVZAGE-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
CID 105094034
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
(4-tert-butylthiadiazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 105133332
(3,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 107978749
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378
2-(5-chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464
(3,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101846
(3,4-dichlorophenyl)-(1H-pyrrol-2-yl)methanol
CID 63748025
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol (CID 105133310) is (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)c1csnn1.
What is the InChIKey of (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The InChIKey is WGPPPYQMIVZAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-6-2-1-5(3-7(6)11)9(14)8-4-15-13-12-8/h1-4,9,14H.
What are the key properties of (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol?
(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol has a molecular weight of 261.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105133310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).