ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole

C9H18N2S — CID 177044611

IUPACethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole
SMILESCC.CCc1nsnc1C(C)C
InChIInChI=1S/C7H12N2S.C2H6/c1-4-6-7(5(2)3)9-10-8-6;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyKDBKGETZAVGHSA-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.25
Rot. Bonds2

About ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole

ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole (PubChem CID 177044611) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Nameethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole
PubChem CID177044611
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Nameethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole
SMILESCC.CCc1nsnc1C(C)C
InChIInChI=1S/C7H12N2S.C2H6/c1-4-6-7(5(2)3)9-10-8-6;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyKDBKGETZAVGHSA-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-di(propan-2-yl)-1,2,5-thiadiazole;methane
CID 157399663
ethane;2-ethyl-3-propan-2-ylpyrazine
CID 145260795
2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
CID 70837931
2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
CID 89018232
3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile
CID 163999143
3,4-diethyl-5-propan-2-yl-1,2-thiazole
CID 167407500
4-ethyl-6-propan-2-ylpyrimidin-5-ol
CID 143740728
2-ethyl-3-propan-2-ylpyrazino[2,3-b]pyrazine
CID 129153914
5-ethyl-4-propan-2-ylthiadiazole
CID 67890638
7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
CID 91563806
1,3-diethyl-8-propan-2-ylimidazo[1,5-a]pyrazine
CID 91607419
3-ethyl-1,2-thiazole-4,5-diamine
CID 69334000

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole?
The IUPAC name of ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole (CID 177044611) is ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole.
What is the SMILES notation for ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole?
The canonical SMILES for ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole is CC.CCc1nsnc1C(C)C.
What is the InChIKey of ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole?
The InChIKey is KDBKGETZAVGHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.C2H6/c1-4-6-7(5(2)3)9-10-8-6;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole?
ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole has a molecular weight of 186.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-propan-2-yl-1,2,5-thiadiazole is sourced from PubChem (CID 177044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).