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

C3H4ClN3S — CID 55287253

IUPAC3-chloro-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cl)ns1
InChIInChI=1S/C3H4ClN3S/c1-5-3-6-2(4)7-8-3/h1H3,(H,5,6,7)
InChIKeyUHZREDDUMUKMIM-UHFFFAOYSA-N
MW149.61 g/mol
LogP1.23
Rot. Bonds1

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

3-chloro-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 55287253) has the molecular formula C3H4ClN3S and a molecular weight of 149.61 g/mol. Its IUPAC name is 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID55287253
Molecular FormulaC3H4ClN3S
Molecular Weight149.61 g/mol
Exact Mass148.98
IUPAC Name3-chloro-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(Cl)ns1
InChIInChI=1S/C3H4ClN3S/c1-5-3-6-2(4)7-8-3/h1H3,(H,5,6,7)
InChIKeyUHZREDDUMUKMIM-UHFFFAOYSA-N
XLogP1.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.61
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine (CID 55287253) is 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(Cl)ns1.
What is the InChIKey of 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UHZREDDUMUKMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3S/c1-5-3-6-2(4)7-8-3/h1H3,(H,5,6,7).
What are the key properties of 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine?
3-chloro-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 149.61 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 55287253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).