ethane;4-propylthiadiazole

C7H14N2S — CID 145445601

IUPACethane;4-propylthiadiazole
SMILESCC.CCCc1csnn1
InChIInChI=1S/C5H8N2S.C2H6/c1-2-3-5-4-8-7-6-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyHBAJSMGMBSPHOH-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.52
Rot. Bonds2

About ethane;4-propylthiadiazole

ethane;4-propylthiadiazole (PubChem CID 145445601) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is ethane;4-propylthiadiazole.

Molecular Properties

Compound Nameethane;4-propylthiadiazole
PubChem CID145445601
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Nameethane;4-propylthiadiazole
SMILESCC.CCCc1csnn1
InChIInChI=1S/C5H8N2S.C2H6/c1-2-3-5-4-8-7-6-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyHBAJSMGMBSPHOH-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
Ethyl thiadiazole
CID 13427198
Thiadiazolylcyclopropane
CID 57002534
4-Nonylthiadiazole
CID 57108156
Isobutylthiadiazole
CID 118148363
4-Butylthiadiazole
CID 19903308
5-(Thiadiazol-4-yl)pentan-2-yldiazene
CID 90846933
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
4-Undecylthiadiazole
CID 146168283
4-Cyclobutylthiadiazole
CID 146168347
3-Fluoro-3-(1,2,3-thiadiazol-4-yl)propan-1-amine
CID 165626336

Frequently Asked Questions

What is the IUPAC name of ethane;4-propylthiadiazole?
The IUPAC name of ethane;4-propylthiadiazole (CID 145445601) is ethane;4-propylthiadiazole.
What is the SMILES notation for ethane;4-propylthiadiazole?
The canonical SMILES for ethane;4-propylthiadiazole is CC.CCCc1csnn1.
What is the InChIKey of ethane;4-propylthiadiazole?
The InChIKey is HBAJSMGMBSPHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.C2H6/c1-2-3-5-4-8-7-6-5;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;4-propylthiadiazole?
ethane;4-propylthiadiazole has a molecular weight of 158.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propylthiadiazole is sourced from PubChem (CID 145445601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).