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

C6H9ClN2OS — CID 107948675

IUPAC3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole
SMILESCCCOCc1nc(Cl)ns1
InChIInChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyZCLDXDYOSQRPFT-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.12
Rot. Bonds4

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

3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole (PubChem CID 107948675) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole
PubChem CID107948675
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole
SMILESCCCOCc1nc(Cl)ns1
InChIInChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3
InChIKeyZCLDXDYOSQRPFT-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole
CID 54094790
5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
CID 165937608
1,2,4-Thiadiazole-5-carbohydrazonic acid, 3-methyl-, ethyl ester
CID 9601412
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
CID 143141471
3-Ethoxy-5-methyl-1,2,4-thiadiazole
CID 149349626
3-Chloro-5-(1-ethoxyethenyl)-1,2,4-thiadiazole
CID 162686576
Ethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669131
3-(Ethoxymethyl)-5-methoxy-1,2,4-thiadiazole
CID 178822695
ethyl (5E)-3-methyl-1,2,4-thiadiazole-5-carbohydrazonate
CID 5362995

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole (CID 107948675) is 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole is CCCOCc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole?
The InChIKey is ZCLDXDYOSQRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-2-3-10-4-5-8-6(7)9-11-5/h2-4H2,1H3.
What are the key properties of 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole?
3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(propoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107948675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).