3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole

C9H13ClN2OS — CID 103170916

IUPAC3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(Cl)ns2)C1
InChIInChI=1S/C9H13ClN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyMJYUALVRLMPJAH-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole

3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole (PubChem CID 103170916) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
PubChem CID103170916
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
SMILESCCOC1CC(Cc2nc(Cl)ns2)C1
InChIInChI=1S/C9H13ClN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3
InChIKeyMJYUALVRLMPJAH-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944002
3-Chloro-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944022
3-Chloro-5-(5-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944071
3-Chloro-5-(3-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102944109
5-[(3-Ethoxycyclobutyl)methyl]-1,2,4-thiadiazol-3-amine
CID 103167080
3-Bromo-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103170912
5-[(3-Ethoxycyclobutyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 103170914
3-Chloro-5-[(1-methoxycyclobutyl)methyl]-1,2,4-thiadiazole
CID 103560660
3-Chloro-5-(2-ethyloxolan-3-yl)-1,2,4-thiadiazole
CID 105732465
3-Chloro-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601669

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole (CID 103170916) is 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole is CCOC1CC(Cc2nc(Cl)ns2)C1.
What is the InChIKey of 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
The InChIKey is MJYUALVRLMPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-2-13-7-3-6(4-7)5-8-11-9(10)12-14-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole?
3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole has a molecular weight of 232.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3-ethoxycyclobutyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 103170916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).