5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane

C7H13ClN2OS — CID 143141471

IUPAC5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
SMILESCCC.COCc1nsc(Cl)n1
InChIInChI=1S/C4H5ClN2OS.C3H8/c1-8-2-3-6-4(5)9-7-3;1-3-2/h2H2,1H3;3H2,1-2H3
InChIKeyHFKFZIDSRQBMJH-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane

5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane (PubChem CID 143141471) has the molecular formula C7H13ClN2OS and a molecular weight of 208.71 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
PubChem CID143141471
Molecular FormulaC7H13ClN2OS
Molecular Weight208.71 g/mol
Exact Mass208.04
IUPAC Name5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane
SMILESCCC.COCc1nsc(Cl)n1
InChIInChI=1S/C4H5ClN2OS.C3H8/c1-8-2-3-6-4(5)9-7-3;1-3-2/h2H2,1H3;3H2,1-2H3
InChIKeyHFKFZIDSRQBMJH-UHFFFAOYSA-N
XLogP2.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole
CID 54094790
5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 79194891
3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
CID 165937608
5-Chloro-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazole
CID 103476976
5-Chloro-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazole
CID 103476977
(5-Ethoxy-1,2,4-thiadiazol-3-yl)methanol
CID 20623939
5-Bromo-3-(methoxymethyl)-1,2,4-thiadiazole
CID 83884227
5-Chloro-3-(diethoxymethyl)-1,2,4-thiadiazole
CID 86186895
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane (CID 143141471) is 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane is CCC.COCc1nsc(Cl)n1.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane?
The InChIKey is HFKFZIDSRQBMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2OS.C3H8/c1-8-2-3-6-4(5)9-7-3;1-3-2/h2H2,1H3;3H2,1-2H3.
What are the key properties of 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane?
5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane has a molecular weight of 208.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1,2,4-thiadiazole;propane is sourced from PubChem (CID 143141471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).