N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine

C6H9N3S — CID 43663785

IUPACN-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1csnn1
InChIInChI=1S/C6H9N3S/c1-2-3-7-4-6-5-10-9-8-6/h2,5,7H,1,3-4H2
InChIKeyQMJUDAWKTBZBBU-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.81
Rot. Bonds4

About N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine

N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine (PubChem CID 43663785) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
PubChem CID43663785
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1csnn1
InChIInChI=1S/C6H9N3S/c1-2-3-7-4-6-5-10-9-8-6/h2,5,7H,1,3-4H2
InChIKeyQMJUDAWKTBZBBU-UHFFFAOYSA-N
XLogP0.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine (CID 43663785) is N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine is C=CCNCc1csnn1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is QMJUDAWKTBZBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-3-7-4-6-5-10-9-8-6/h2,5,7H,1,3-4H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine?
N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 155.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 43663785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).