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

C9H14ClN3S — CID 131187460

IUPAC4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(c1nsnc1Cl)C1CC(C)(C)C1
InChIInChI=1S/C9H14ClN3S/c1-9(2)4-6(5-9)13(3)8-7(10)11-14-12-8/h6H,4-5H2,1-3H3
InChIKeyJAGXAZLKYYBGGP-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.82
Rot. Bonds2

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

4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 131187460) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID131187460
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(c1nsnc1Cl)C1CC(C)(C)C1
InChIInChI=1S/C9H14ClN3S/c1-9(2)4-6(5-9)13(3)8-7(10)11-14-12-8/h6H,4-5H2,1-3H3
InChIKeyJAGXAZLKYYBGGP-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 131187460) is 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine is CN(c1nsnc1Cl)C1CC(C)(C)C1.
What is the InChIKey of 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is JAGXAZLKYYBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-9(2)4-6(5-9)13(3)8-7(10)11-14-12-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-dimethylcyclobutyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 131187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).