3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole

C7H11ClN2OS — CID 102981546

IUPAC3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole
SMILESCCCC(C)Oc1nsnc1Cl
InChIInChI=1S/C7H11ClN2OS/c1-3-4-5(2)11-7-6(8)9-12-10-7/h5H,3-4H2,1-2H3
InChIKeyYHPNVFZAPPKJCD-UHFFFAOYSA-N
MW206.70 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole

3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole (PubChem CID 102981546) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole
PubChem CID102981546
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC Name3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole
SMILESCCCC(C)Oc1nsnc1Cl
InChIInChI=1S/C7H11ClN2OS/c1-3-4-5(2)11-7-6(8)9-12-10-7/h5H,3-4H2,1-2H3
InChIKeyYHPNVFZAPPKJCD-UHFFFAOYSA-N
XLogP2.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole (CID 102981546) is 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole is CCCC(C)Oc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole?
The InChIKey is YHPNVFZAPPKJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-3-4-5(2)11-7-6(8)9-12-10-7/h5H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole?
3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole has a molecular weight of 206.70 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pentan-2-yloxy-1,2,5-thiadiazole is sourced from PubChem (CID 102981546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).