1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol

C8H12ClN3OS — CID 130913754

IUPAC1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol
SMILESOC1(CCNc2nsnc2Cl)CCC1
InChIInChI=1S/C8H12ClN3OS/c9-6-7(12-14-11-6)10-5-4-8(13)2-1-3-8/h13H,1-5H2,(H,10,12)
InChIKeyVGRJKVBWKMJYNQ-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol

1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol (PubChem CID 130913754) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol
PubChem CID130913754
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol
SMILESOC1(CCNc2nsnc2Cl)CCC1
InChIInChI=1S/C8H12ClN3OS/c9-6-7(12-14-11-6)10-5-4-8(13)2-1-3-8/h13H,1-5H2,(H,10,12)
InChIKeyVGRJKVBWKMJYNQ-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol (CID 130913754) is 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol is OC1(CCNc2nsnc2Cl)CCC1.
What is the InChIKey of 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol?
The InChIKey is VGRJKVBWKMJYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c9-6-7(12-14-11-6)10-5-4-8(13)2-1-3-8/h13H,1-5H2,(H,10,12).
What are the key properties of 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol?
1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol has a molecular weight of 233.72 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 130913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).