3,4,5-trimethyl-5H-1,2,4-thiadiazole

C5H10N2S — CID 154517436

IUPAC3,4,5-trimethyl-5H-1,2,4-thiadiazole
SMILESCC1=NSC(C)N1C
InChIInChI=1S/C5H10N2S/c1-4-6-8-5(2)7(4)3/h5H,1-3H3
InChIKeyMZWBEQWPEPDIDS-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.34
Rot. Bonds

About 3,4,5-trimethyl-5H-1,2,4-thiadiazole

3,4,5-trimethyl-5H-1,2,4-thiadiazole (PubChem CID 154517436) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3,4,5-trimethyl-5H-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,4,5-trimethyl-5H-1,2,4-thiadiazole
PubChem CID154517436
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3,4,5-trimethyl-5H-1,2,4-thiadiazole
SMILESCC1=NSC(C)N1C
InChIInChI=1S/C5H10N2S/c1-4-6-8-5(2)7(4)3/h5H,1-3H3
InChIKeyMZWBEQWPEPDIDS-UHFFFAOYSA-N
XLogP1.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,4-Tetramethyl-5,6-dihydro-1,2,4-thiadiazine
CID 143829286

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-5H-1,2,4-thiadiazole?
The IUPAC name of 3,4,5-trimethyl-5H-1,2,4-thiadiazole (CID 154517436) is 3,4,5-trimethyl-5H-1,2,4-thiadiazole.
What is the SMILES notation for 3,4,5-trimethyl-5H-1,2,4-thiadiazole?
The canonical SMILES for 3,4,5-trimethyl-5H-1,2,4-thiadiazole is CC1=NSC(C)N1C.
What is the InChIKey of 3,4,5-trimethyl-5H-1,2,4-thiadiazole?
The InChIKey is MZWBEQWPEPDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4-6-8-5(2)7(4)3/h5H,1-3H3.
What are the key properties of 3,4,5-trimethyl-5H-1,2,4-thiadiazole?
3,4,5-trimethyl-5H-1,2,4-thiadiazole has a molecular weight of 130.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-5H-1,2,4-thiadiazole is sourced from PubChem (CID 154517436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).