ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole

C11H16N2S — CID 143818194

IUPACethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole
SMILESCC.CC1C=CC(c2csnn2)=CC1
InChIInChI=1S/C9H10N2S.C2H6/c1-7-2-4-8(5-3-7)9-6-12-11-10-9;1-2/h2,4-7H,3H2,1H3;1-2H3
InChIKeyXPWAAORDWNZKDN-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.54
Rot. Bonds1

About ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole

ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole (PubChem CID 143818194) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole.

Molecular Properties

Compound Nameethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole
PubChem CID143818194
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Nameethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole
SMILESCC.CC1C=CC(c2csnn2)=CC1
InChIInChI=1S/C9H10N2S.C2H6/c1-7-2-4-8(5-3-7)9-6-12-11-10-9;1-2/h2,4-7H,3H2,1H3;1-2H3
InChIKeyXPWAAORDWNZKDN-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole?
The IUPAC name of ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole (CID 143818194) is ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole.
What is the SMILES notation for ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole?
The canonical SMILES for ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole is CC.CC1C=CC(c2csnn2)=CC1.
What is the InChIKey of ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole?
The InChIKey is XPWAAORDWNZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.C2H6/c1-7-2-4-8(5-3-7)9-6-12-11-10-9;1-2/h2,4-7H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole?
ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole has a molecular weight of 208.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylcyclohexa-1,5-dien-1-yl)thiadiazole is sourced from PubChem (CID 143818194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).