3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine

C4H8N3S+ — CID 89038318

IUPAC3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine
SMILESCc1n[n+](C)c(N)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7(2)4(5)8-3/h5H,1-2H3/p+1
InChIKeyUVCPUUBVPNIFBC-UHFFFAOYSA-O
MW130.20 g/mol
LogP-0.14
Rot. Bonds

About 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine

3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine (PubChem CID 89038318) has the molecular formula C4H8N3S+ and a molecular weight of 130.20 g/mol. Its IUPAC name is 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine
PubChem CID89038318
Molecular FormulaC4H8N3S+
Molecular Weight130.20 g/mol
Exact Mass130.04
IUPAC Name3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine
SMILESCc1n[n+](C)c(N)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7(2)4(5)8-3/h5H,1-2H3/p+1
InChIKeyUVCPUUBVPNIFBC-UHFFFAOYSA-O
XLogP-0.14
TPSA42.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.20
LogP ≤ 5-0.14
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 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine?
The IUPAC name of 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine (CID 89038318) is 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine.
What is the SMILES notation for 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine?
The canonical SMILES for 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine is Cc1n[n+](C)c(N)s1.
What is the InChIKey of 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine?
The InChIKey is UVCPUUBVPNIFBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N3S/c1-3-6-7(2)4(5)8-3/h5H,1-2H3/p+1.
What are the key properties of 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine?
3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine has a molecular weight of 130.20 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3,4-thiadiazol-3-ium-2-amine is sourced from PubChem (CID 89038318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).