ethane;4-propan-2-ylthiadiazole

C7H14N2S — CID 166455851

IUPACethane;4-propan-2-ylthiadiazole
SMILESCC.CC(C)c1csnn1
InChIInChI=1S/C5H8N2S.C2H6/c1-4(2)5-3-8-7-6-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyJFEZQDSPVLJMOY-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.69
Rot. Bonds1

About ethane;4-propan-2-ylthiadiazole

ethane;4-propan-2-ylthiadiazole (PubChem CID 166455851) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is ethane;4-propan-2-ylthiadiazole.

Molecular Properties

Compound Nameethane;4-propan-2-ylthiadiazole
PubChem CID166455851
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Nameethane;4-propan-2-ylthiadiazole
SMILESCC.CC(C)c1csnn1
InChIInChI=1S/C5H8N2S.C2H6/c1-4(2)5-3-8-7-6-5;1-2/h3-4H,1-2H3;1-2H3
InChIKeyJFEZQDSPVLJMOY-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,2,3-thiadiazole
CID 355841
4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
Thiadiazolylcyclopropane
CID 57002534
Isobutylthiadiazole
CID 118148363
4-Butylthiadiazole
CID 19903308
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
4-Prop-2-enylthiadiazole
CID 54454030
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylthiadiazole?
The IUPAC name of ethane;4-propan-2-ylthiadiazole (CID 166455851) is ethane;4-propan-2-ylthiadiazole.
What is the SMILES notation for ethane;4-propan-2-ylthiadiazole?
The canonical SMILES for ethane;4-propan-2-ylthiadiazole is CC.CC(C)c1csnn1.
What is the InChIKey of ethane;4-propan-2-ylthiadiazole?
The InChIKey is JFEZQDSPVLJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H6/c1-4(2)5-3-8-7-6-5;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-ylthiadiazole?
ethane;4-propan-2-ylthiadiazole has a molecular weight of 158.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylthiadiazole is sourced from PubChem (CID 166455851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).