2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole

C10H8BrClN2O2S — CID 167369137

IUPAC2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole
SMILESCOCOc1cc(Cl)ccc1-c1nnc(Br)s1
InChIInChI=1S/C10H8BrClN2O2S/c1-15-5-16-8-4-6(12)2-3-7(8)9-13-14-10(11)17-9/h2-4H,5H2,1H3
InChIKeyDUWCTZSHMATEKI-UHFFFAOYSA-N
MW335.61 g/mol
LogP3.60
Rot. Bonds4

About 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole

2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole (PubChem CID 167369137) has the molecular formula C10H8BrClN2O2S and a molecular weight of 335.61 g/mol. Its IUPAC name is 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole
PubChem CID167369137
Molecular FormulaC10H8BrClN2O2S
Molecular Weight335.61 g/mol
Exact Mass333.92
IUPAC Name2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole
SMILESCOCOc1cc(Cl)ccc1-c1nnc(Br)s1
InChIInChI=1S/C10H8BrClN2O2S/c1-15-5-16-8-4-6(12)2-3-7(8)9-13-14-10(11)17-9/h2-4H,5H2,1H3
InChIKeyDUWCTZSHMATEKI-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.61
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
3-chloro-6-[4-chloro-2-(methoxymethoxy)phenyl]-1,2-dihydropyridazine
CID 155055633
tert-butyl (1S,5R)-3-[[5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 175703244
3-[4-bromo-2-(methoxymethoxy)phenyl]-6-chloro-1,2,4-triazine
CID 139537054
7-[(5S)-3-bicyclo[3.2.1]octanyl]-3-[4-chloro-2-(methoxymethoxy)phenyl]pyrrolo[2,3-c]pyridazine
CID 170038093
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
CID 63383673
6-[4-chloro-2-(methoxymethoxy)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-triazin-3-amine
CID 139537124
5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61037923
[3-[3-[4-chloro-2-(methoxymethoxy)phenyl]-6H-thiopyrano[3,2-c]pyridazin-8-yl]-8-azabicyclo[3.2.1]octan-8-yl]-methylborinic acid
CID 168845947
1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 75529973
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
CID 63384076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole (CID 167369137) is 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole is COCOc1cc(Cl)ccc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole?
The InChIKey is DUWCTZSHMATEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2S/c1-15-5-16-8-4-6(12)2-3-7(8)9-13-14-10(11)17-9/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole?
2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole has a molecular weight of 335.61 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-chloro-2-(methoxymethoxy)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 167369137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).