N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine

C9H14ClN3S — CID 65277332

IUPACN-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CCCl)C2CC2)n1
InChIInChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13(6-5-10)7-3-4-7/h7H,2-6H2,1H3
InChIKeyZTWXBQIGOFBIGT-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.31
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277332) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65277332
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CCCl)C2CC2)n1
InChIInChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13(6-5-10)7-3-4-7/h7H,2-6H2,1H3
InChIKeyZTWXBQIGOFBIGT-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65277332) is N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(CCCl)C2CC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZTWXBQIGOFBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13(6-5-10)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 231.75 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).