3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole

C7H7ClN2OS — CID 130927750

IUPAC3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole
SMILESClc1nsc(C2C3COCC32)n1
InChIInChI=1S/C7H7ClN2OS/c8-7-9-6(12-10-7)5-3-1-11-2-4(3)5/h3-5H,1-2H2
InChIKeyGDTHBFNQGYQYAK-UHFFFAOYSA-N
MW202.67 g/mol
LogP1.55
Rot. Bonds1

About 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole

3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole (PubChem CID 130927750) has the molecular formula C7H7ClN2OS and a molecular weight of 202.67 g/mol. Its IUPAC name is 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole
PubChem CID130927750
Molecular FormulaC7H7ClN2OS
Molecular Weight202.67 g/mol
Exact Mass202.00
IUPAC Name3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole
SMILESClc1nsc(C2C3COCC32)n1
InChIInChI=1S/C7H7ClN2OS/c8-7-9-6(12-10-7)5-3-1-11-2-4(3)5/h3-5H,1-2H2
InChIKeyGDTHBFNQGYQYAK-UHFFFAOYSA-N
XLogP1.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.67
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102944022
5-Chloro-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 103988240
3-Chloro-5-(oxolan-3-yl)-1,2,4-thiadiazole
CID 121601653
3-Chloro-5-(oxan-4-yl)-1,2,4-thiadiazole
CID 121601662
3-Chloro-5-(oxan-3-yl)-1,2,4-thiadiazole
CID 121601669
5-(Oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 131086579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole (CID 130927750) is 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole is Clc1nsc(C2C3COCC32)n1.
What is the InChIKey of 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole?
The InChIKey is GDTHBFNQGYQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2OS/c8-7-9-6(12-10-7)5-3-1-11-2-4(3)5/h3-5H,1-2H2.
What are the key properties of 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole?
3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole has a molecular weight of 202.67 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130927750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).