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

C8H11ClN2OS — CID 104612106

IUPAC5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Cl)n2)CCCC1
InChIInChI=1S/C8H11ClN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyKUKWLNSSNLPNTQ-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.61
Rot. Bonds2

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

5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole (PubChem CID 104612106) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
PubChem CID104612106
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole
SMILESCOC1(c2nsc(Cl)n2)CCCC1
InChIInChI=1S/C8H11ClN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3
InChIKeyKUKWLNSSNLPNTQ-UHFFFAOYSA-N
XLogP2.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole (CID 104612106) is 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole is COC1(c2nsc(Cl)n2)CCCC1.
What is the InChIKey of 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
The InChIKey is KUKWLNSSNLPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-12-8(4-2-3-5-8)6-10-7(9)13-11-6/h2-5H2,1H3.
What are the key properties of 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole?
5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole has a molecular weight of 218.71 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methoxycyclopentyl)-1,2,4-thiadiazole is sourced from PubChem (CID 104612106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).