6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H14N4OS — CID 95559024

IUPAC6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc([C@@H]3CCCO3)nn12
InChIInChI=1S/C10H14N4OS/c1-6(2)8-11-12-10-14(8)13-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyJFGZXRHUTABUGA-ZETCQYMHSA-N
MW238.32 g/mol
LogP2.16
Rot. Bonds2

About 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 95559024) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID95559024
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc([C@@H]3CCCO3)nn12
InChIInChI=1S/C10H14N4OS/c1-6(2)8-11-12-10-14(8)13-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyJFGZXRHUTABUGA-ZETCQYMHSA-N
XLogP2.16
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

4-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 82486791
3-propan-2-yl-6-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56869222
[2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353961
cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114354745
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375
2-methyl-4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114353965
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114353751
(5S)-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-propylpiperidin-2-one
CID 95559821
N-[(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopropanamine
CID 82476752
3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbaldehyde
CID 114356284
2-methyl-2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114353951
N-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]ethanamine
CID 114353920

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 95559024) is 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1nnc2sc([C@@H]3CCCO3)nn12.
What is the InChIKey of 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JFGZXRHUTABUGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)8-11-12-10-14(8)13-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 238.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-oxolan-2-yl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 95559024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).