3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole

C5H7ClN2O2S — CID 43808053

IUPAC3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole
SMILESCOCCOc1nsnc1Cl
InChIInChI=1S/C5H7ClN2O2S/c1-9-2-3-10-5-4(6)7-11-8-5/h2-3H2,1H3
InChIKeyLVJPOMZYBZSIKH-UHFFFAOYSA-N
MW194.64 g/mol
LogP1.22
Rot. Bonds4

About 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole

3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole (PubChem CID 43808053) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole
PubChem CID43808053
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole
SMILESCOCCOc1nsnc1Cl
InChIInChI=1S/C5H7ClN2O2S/c1-9-2-3-10-5-4(6)7-11-8-5/h2-3H2,1H3
InChIKeyLVJPOMZYBZSIKH-UHFFFAOYSA-N
XLogP1.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-4-propoxy-1,2,5-thiadiazole
CID 10583490
3-Chloro-4-butyloxy-1,2,5-thiadiazole
CID 10607798
1,2,5-Thiadiazole, 3-chloro-4-(pentyloxy)-
CID 10703512
3-Chloro-4-ethoxy-1,2,5-thiadiazole
CID 19349042
3-Chloro-4-isopropoxy-[1,2,5]thiadiazole
CID 43808056
3-Chloro-4-(2,2,2-trifluoroethoxy)-1,2,5-thiadiazole
CID 43808043
3-Chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
CID 82004463
3-Chloro-4-(3,3,3-trifluoropropoxy)-1,2,5-thiadiazole
CID 82955068
3-Chloro-4-(2,3-epoxypropoxy)-1,2,5-thiadiazole
CID 13755553
3-Chloro-4-(1-chloroethoxy)-1,2,5-thiadiazole
CID 18988297
3-Chloro-4-prop-2-ynoxy-1,2,5-thiadiazole
CID 43808081
3-Chloro-4-(2-chloroethoxy)-1,2,5-thiadiazole
CID 53681078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole (CID 43808053) is 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole is COCCOc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole?
The InChIKey is LVJPOMZYBZSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S/c1-9-2-3-10-5-4(6)7-11-8-5/h2-3H2,1H3.
What are the key properties of 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole?
3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole has a molecular weight of 194.64 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methoxyethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43808053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).