N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine

C6H11N3S — CID 130815357

IUPACN-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
SMILESCNCCCc1cnsn1
InChIInChI=1S/C6H11N3S/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3
InChIKeyLIMQDFJMNAHKKJ-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine

N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine (PubChem CID 130815357) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
PubChem CID130815357
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
SMILESCNCCCc1cnsn1
InChIInChI=1S/C6H11N3S/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3
InChIKeyLIMQDFJMNAHKKJ-UHFFFAOYSA-N
XLogP0.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine (CID 130815357) is N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine is CNCCCc1cnsn1.
What is the InChIKey of N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine?
The InChIKey is LIMQDFJMNAHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-7-4-2-3-6-5-8-10-9-6/h5,7H,2-4H2,1H3.
What are the key properties of N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine?
N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine has a molecular weight of 157.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 130815357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).