4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

C8H12ClN3S — CID 62856259

IUPAC4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCC1)c1nsnc1Cl
InChIInChI=1S/C8H12ClN3S/c1-12(5-6-3-2-4-6)8-7(9)10-13-11-8/h6H,2-5H2,1H3
InChIKeyZITLFQCIKNPWAT-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.43
Rot. Bonds3

About 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 62856259) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID62856259
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(CC1CCC1)c1nsnc1Cl
InChIInChI=1S/C8H12ClN3S/c1-12(5-6-3-2-4-6)8-7(9)10-13-11-8/h6H,2-5H2,1H3
InChIKeyZITLFQCIKNPWAT-UHFFFAOYSA-N
XLogP2.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 62856259) is 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is CN(CC1CCC1)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is ZITLFQCIKNPWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-12(5-6-3-2-4-6)8-7(9)10-13-11-8/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 217.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclobutylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62856259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).