5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole

C7H12N2S — CID 66695266

IUPAC5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole
SMILESCC[C@H](C)c1nc(C)ns1
InChIInChI=1S/C7H12N2S/c1-4-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyGOJKMNXHDVUSGW-YFKPBYRVSA-N
MW156.25 g/mol
LogP2.36
Rot. Bonds2

About 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole

5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 66695266) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID66695266
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole
SMILESCC[C@H](C)c1nc(C)ns1
InChIInChI=1S/C7H12N2S/c1-4-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyGOJKMNXHDVUSGW-YFKPBYRVSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole (CID 66695266) is 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole is CC[C@H](C)c1nc(C)ns1.
What is the InChIKey of 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is GOJKMNXHDVUSGW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole?
5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 66695266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).