ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole

C15H30N6S3 — CID 159411895

IUPACethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole
SMILESCC.CC.CC.Cc1csnn1.Cc1ncns1.Cc1ncsn1
InChIInChI=1S/3C3H4N2S.3C2H6/c1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;3*1-2/h3*2H,1H3;3*1-2H3
InChIKeyLORIROKILRZMFM-UHFFFAOYSA-N
MW390.65 g/mol
LogP5.62
Rot. Bonds

About ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole

ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole (PubChem CID 159411895) has the molecular formula C15H30N6S3 and a molecular weight of 390.65 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole
PubChem CID159411895
Molecular FormulaC15H30N6S3
Molecular Weight390.65 g/mol
Exact Mass390.17
IUPAC Nameethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole
SMILESCC.CC.CC.Cc1csnn1.Cc1ncns1.Cc1ncsn1
InChIInChI=1S/3C3H4N2S.3C2H6/c1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;3*1-2/h3*2H,1H3;3*1-2H3
InChIKeyLORIROKILRZMFM-UHFFFAOYSA-N
XLogP5.62
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?
The IUPAC name of ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole (CID 159411895) is ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?
The canonical SMILES for ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole is CC.CC.CC.Cc1csnn1.Cc1ncns1.Cc1ncsn1.
What is the InChIKey of ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?
The InChIKey is LORIROKILRZMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H4N2S.3C2H6/c1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;3*1-2/h3*2H,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole?
ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole has a molecular weight of 390.65 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 159411895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).