4-tert-butyl-5-deuteriothiadiazole

C6H10N2S — CID 156666595

IUPAC4-tert-butyl-5-deuteriothiadiazole
SMILES[2H]c1snnc1C(C)(C)C
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3/i4D
InChIKeyOEPVZAPYTAHXAB-QYKNYGDISA-N
MW143.23 g/mol
LogP1.84
Rot. Bonds

About 4-tert-butyl-5-deuteriothiadiazole

4-tert-butyl-5-deuteriothiadiazole (PubChem CID 156666595) has the molecular formula C6H10N2S and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-tert-butyl-5-deuteriothiadiazole.

Molecular Properties

Compound Name4-tert-butyl-5-deuteriothiadiazole
PubChem CID156666595
Molecular FormulaC6H10N2S
Molecular Weight143.23 g/mol
Exact Mass143.06
IUPAC Name4-tert-butyl-5-deuteriothiadiazole
SMILES[2H]c1snnc1C(C)(C)C
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3/i4D
InChIKeyOEPVZAPYTAHXAB-QYKNYGDISA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Tert-butyl-2-methylthiadiazol-2-ium tetrafluoroborate
CID 2748749
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
Isobutylthiadiazole
CID 118148363
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
4-(2,2-Dimethylpropyl)thiadiazole
CID 58612134
4-Butan-2-ylthiadiazole
CID 89062266
Ethane;4-methylthiadiazole
CID 91355906
4-(1-Methylsulfanylethyl)thiadiazole
CID 141307552

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-deuteriothiadiazole?
The IUPAC name of 4-tert-butyl-5-deuteriothiadiazole (CID 156666595) is 4-tert-butyl-5-deuteriothiadiazole.
What is the SMILES notation for 4-tert-butyl-5-deuteriothiadiazole?
The canonical SMILES for 4-tert-butyl-5-deuteriothiadiazole is [2H]c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-deuteriothiadiazole?
The InChIKey is OEPVZAPYTAHXAB-QYKNYGDISA-N. The full InChI is InChI=1S/C6H10N2S/c1-6(2,3)5-4-9-8-7-5/h4H,1-3H3/i4D.
What are the key properties of 4-tert-butyl-5-deuteriothiadiazole?
4-tert-butyl-5-deuteriothiadiazole has a molecular weight of 143.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-deuteriothiadiazole is sourced from PubChem (CID 156666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).