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

C9H6Cl2N2OS — CID 105093417

IUPAC(2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyLXZQAVUMHKWGDC-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.93
Rot. Bonds2

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

(2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol (PubChem CID 105093417) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol
PubChem CID105093417
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name(2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol
SMILESOC(c1csnn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H
InChIKeyLXZQAVUMHKWGDC-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

(3,4-dichlorophenyl)-(thiadiazol-4-yl)methanol
CID 105133310
(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105113694
2-(5-chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
CID 62789956
(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
CID 105094034
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
CID 105119193
2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
CID 70495317
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol (CID 105093417) is (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol is OC(c1csnn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol?
The InChIKey is LXZQAVUMHKWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-5-1-2-7(11)6(3-5)9(14)8-4-15-13-12-8/h1-4,9,14H.
What are the key properties of (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol?
(2,5-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 (2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol is sourced from PubChem (CID 105093417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).