4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole

C11H12N2S — CID 162095951

IUPAC4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole
SMILESCC(C)=C1C=CC(c2csnn2)=CC1
InChIInChI=1S/C11H12N2S/c1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11/h3,5-7H,4H2,1-2H3
InChIKeyZEGAREUBMWWDCW-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.22
Rot. Bonds1

About 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole

4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole (PubChem CID 162095951) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole.

Molecular Properties

Compound Name4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole
PubChem CID162095951
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole
SMILESCC(C)=C1C=CC(c2csnn2)=CC1
InChIInChI=1S/C11H12N2S/c1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11/h3,5-7H,4H2,1-2H3
InChIKeyZEGAREUBMWWDCW-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole?
The IUPAC name of 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole (CID 162095951) is 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole.
What is the SMILES notation for 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole?
The canonical SMILES for 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole is CC(C)=C1C=CC(c2csnn2)=CC1.
What is the InChIKey of 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole?
The InChIKey is ZEGAREUBMWWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11/h3,5-7H,4H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole?
4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole has a molecular weight of 204.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylidenecyclohexa-1,5-dien-1-yl)thiadiazole is sourced from PubChem (CID 162095951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).