(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole

C10H20N2S — CID 134894595

IUPAC(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole
SMILESCC(C)(C)[C@H]1N=N[C@H](C(C)(C)C)S1
InChIInChI=1S/C10H20N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyYYXFGWZFLFPBPS-YUMQZZPRSA-N
MW200.35 g/mol
LogP3.93
Rot. Bonds

About (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole

(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole (PubChem CID 134894595) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole
PubChem CID134894595
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole
SMILESCC(C)(C)[C@H]1N=N[C@H](C(C)(C)C)S1
InChIInChI=1S/C10H20N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h7-8H,1-6H3/t7-,8-/m0/s1
InChIKeyYYXFGWZFLFPBPS-YUMQZZPRSA-N
XLogP3.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole?
The IUPAC name of (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole (CID 134894595) is (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole?
The canonical SMILES for (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole is CC(C)(C)[C@H]1N=N[C@H](C(C)(C)C)S1.
What is the InChIKey of (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole?
The InChIKey is YYXFGWZFLFPBPS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h7-8H,1-6H3/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole?
(2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole has a molecular weight of 200.35 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-ditert-butyl-2,5-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 134894595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).