5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole

C7H12N2S2 — CID 1475912

IUPAC5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole
SMILESCC[C@@H](C)Sc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyNUQFMCMHBXFRNA-RXMQYKEDSA-N
MW188.32 g/mol
LogP2.74
Rot. Bonds3

About 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole

5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole (PubChem CID 1475912) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole
PubChem CID1475912
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole
SMILESCC[C@@H](C)Sc1snnc1C
InChIInChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyNUQFMCMHBXFRNA-RXMQYKEDSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole?
The IUPAC name of 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole (CID 1475912) is 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole.
What is the SMILES notation for 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole?
The canonical SMILES for 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole is CC[C@@H](C)Sc1snnc1C.
What is the InChIKey of 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole?
The InChIKey is NUQFMCMHBXFRNA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-4-5(2)10-7-6(3)8-9-11-7/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole?
5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole has a molecular weight of 188.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-butan-2-yl]sulfanyl-4-methylthiadiazole is sourced from PubChem (CID 1475912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).