N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine

C5H10N3S+ — CID 588545

IUPACN,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine
SMILESCNc1n[n+](C)c(C)s1
InChIInChI=1S/C5H10N3S/c1-4-8(3)7-5(6-2)9-4/h1-3H3,(H,6,7)/q+1
InChIKeyMLNVPMGBXVXELR-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.32
Rot. Bonds1

About N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine

N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine (PubChem CID 588545) has the molecular formula C5H10N3S+ and a molecular weight of 144.22 g/mol. Its IUPAC name is N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine
PubChem CID588545
Molecular FormulaC5H10N3S+
Molecular Weight144.22 g/mol
Exact Mass144.06
IUPAC NameN,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine
SMILESCNc1n[n+](C)c(C)s1
InChIInChI=1S/C5H10N3S/c1-4-8(3)7-5(6-2)9-4/h1-3H3,(H,6,7)/q+1
InChIKeyMLNVPMGBXVXELR-UHFFFAOYSA-N
XLogP0.32
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine?
The IUPAC name of N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine (CID 588545) is N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine.
What is the SMILES notation for N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine?
The canonical SMILES for N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine is CNc1n[n+](C)c(C)s1.
What is the InChIKey of N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine?
The InChIKey is MLNVPMGBXVXELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3S/c1-4-8(3)7-5(6-2)9-4/h1-3H3,(H,6,7)/q+1.
What are the key properties of N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine?
N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine has a molecular weight of 144.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-1,3,4-thiadiazol-4-ium-2-amine is sourced from PubChem (CID 588545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).