N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C7H12ClN3S — CID 65273171

IUPACN-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC(C)Cl)n1
InChIInChI=1S/C7H12ClN3S/c1-5(8)4-11(3)7-9-6(2)10-12-7/h5H,4H2,1-3H3
InChIKeyNQMZLKZPZZCFHQ-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.91
Rot. Bonds3

About N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273171) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID65273171
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC NameN-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC(C)Cl)n1
InChIInChI=1S/C7H12ClN3S/c1-5(8)4-11(3)7-9-6(2)10-12-7/h5H,4H2,1-3H3
InChIKeyNQMZLKZPZZCFHQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.91
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-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 65273171) is N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)CC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NQMZLKZPZZCFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-5(8)4-11(3)7-9-6(2)10-12-7/h5H,4H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 205.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).