4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine

C10H18ClN3S — CID 63549934

IUPAC4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine
SMILESCCC(CC)CN(CC)c1nsnc1Cl
InChIInChI=1S/C10H18ClN3S/c1-4-8(5-2)7-14(6-3)10-9(11)12-15-13-10/h8H,4-7H2,1-3H3
InChIKeyWQZNGBDAWPZAOC-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.45
Rot. Bonds6

About 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine (PubChem CID 63549934) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine
PubChem CID63549934
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine
SMILESCCC(CC)CN(CC)c1nsnc1Cl
InChIInChI=1S/C10H18ClN3S/c1-4-8(5-2)7-14(6-3)10-9(11)12-15-13-10/h8H,4-7H2,1-3H3
InChIKeyWQZNGBDAWPZAOC-UHFFFAOYSA-N
XLogP3.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine (CID 63549934) is 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine is CCC(CC)CN(CC)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is WQZNGBDAWPZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-4-8(5-2)7-14(6-3)10-9(11)12-15-13-10/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 247.79 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-ethylbutyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 63549934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).