4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol

C10H8Cl2N2OS — CID 106503495

IUPAC4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(Cl)c(-c2nnc(CCCl)s2)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-4-3-9-13-14-10(16-9)7-5-6(15)1-2-8(7)12/h1-2,5,15H,3-4H2
InChIKeyOJGXIIREXQSAEM-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.35
Rot. Bonds3

About 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol

4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 106503495) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol
PubChem CID106503495
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(Cl)c(-c2nnc(CCCl)s2)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-4-3-9-13-14-10(16-9)7-5-6(15)1-2-8(7)12/h1-2,5,15H,3-4H2
InChIKeyOJGXIIREXQSAEM-UHFFFAOYSA-N
XLogP3.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[5-[3-(propylamino)propyl]-1,3,4-thiadiazol-2-yl]phenol
CID 106503504
2-(2-chloroethyl)-5-(3-chloro-4-iodophenyl)-1,3,4-thiadiazole
CID 103213271
2-(2-chloroethyl)-5-quinoxalin-5-yl-1,3,4-thiadiazole
CID 113433279
2-(3-bromo-2-fluorophenyl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 107958085
2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 130978362
3-[5-(3-chloropropyl)-1,3,4-thiadiazol-2-yl]-2-methylphenol
CID 82830840
2-(3-chloro-2-fluorophenyl)-5-(3-chloropropyl)-1,3,4-thiadiazole
CID 81262237
2-(5-bromo-1-methylpyrazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130743853
2-(2-chloroethyl)-5-(4-methylsulfanylphenyl)-1,3,4-thiadiazole
CID 79206364
2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
CID 106690457
2-(5-bromo-4-methylthiophen-2-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 79996522
3-[5-(2-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106864411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol (CID 106503495) is 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol is Oc1ccc(Cl)c(-c2nnc(CCCl)s2)c1.
What is the InChIKey of 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is OJGXIIREXQSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-4-3-9-13-14-10(16-9)7-5-6(15)1-2-8(7)12/h1-2,5,15H,3-4H2.
What are the key properties of 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol?
4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 275.16 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 106503495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).