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

C9H16N2S — CID 58051735

IUPAC5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc([C@@H](C)C(C)(C)C)n1
InChIInChI=1S/C9H16N2S/c1-6(9(3,4)5)8-10-7(2)11-12-8/h6H,1-5H3/t6-/m1/s1
InChIKeyOYWGZQJPFKABDG-ZCFIWIBFSA-N
MW184.31 g/mol
LogP3.00
Rot. Bonds1

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

5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 58051735) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID58051735
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc([C@@H](C)C(C)(C)C)n1
InChIInChI=1S/C9H16N2S/c1-6(9(3,4)5)8-10-7(2)11-12-8/h6H,1-5H3/t6-/m1/s1
InChIKeyOYWGZQJPFKABDG-ZCFIWIBFSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole (CID 58051735) is 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc([C@@H](C)C(C)(C)C)n1.
What is the InChIKey of 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is OYWGZQJPFKABDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(9(3,4)5)8-10-7(2)11-12-8/h6H,1-5H3/t6-/m1/s1.
What are the key properties of 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole?
5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 58051735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).