5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole

C11H14N2S — CID 141383785

IUPAC5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1=C(c2nc(C3CC3)ns2)CCCC1
InChIInChI=1S/C11H14N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h4,8H,1-3,5-7H2
InChIKeyVDTQZWNZFNUSBG-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.37
Rot. Bonds2

About 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole

5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 141383785) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID141383785
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1=C(c2nc(C3CC3)ns2)CCCC1
InChIInChI=1S/C11H14N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h4,8H,1-3,5-7H2
InChIKeyVDTQZWNZFNUSBG-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(cyclopenten-1-yl)cyclooctene
CID 91463872
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-trimethylsilane
CID 67342185
3-cyclopentyl-1,2,4-thiadiazol-5-amine
CID 60923099
2-[2-[3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetyl]cyclopentene-1-carboxylic acid
CID 158070686
5-(cyclohepten-1-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129489828
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069
CID 67945351
CID 67945351
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole (CID 141383785) is 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole is C1=C(c2nc(C3CC3)ns2)CCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is VDTQZWNZFNUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h4,8H,1-3,5-7H2.
What are the key properties of 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 206.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 141383785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).