4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine

C6H8ClN3S — CID 62414823

IUPAC4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCC1
InChIInChI=1S/C6H8ClN3S/c7-5-6(10-11-9-5)8-4-2-1-3-4/h4H,1-3H2,(H,8,10)
InChIKeyZHIUBHCLDORRFG-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.16
Rot. Bonds2

About 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine

4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine (PubChem CID 62414823) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine
PubChem CID62414823
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCC1
InChIInChI=1S/C6H8ClN3S/c7-5-6(10-11-9-5)8-4-2-1-3-4/h4H,1-3H2,(H,8,10)
InChIKeyZHIUBHCLDORRFG-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine (CID 62414823) is 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine is Clc1nsnc1NC1CCC1.
What is the InChIKey of 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine?
The InChIKey is ZHIUBHCLDORRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c7-5-6(10-11-9-5)8-4-2-1-3-4/h4H,1-3H2,(H,8,10).
What are the key properties of 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine has a molecular weight of 189.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).