1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile

C8H9N3S — CID 130544123

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2nncs2)CCCC1
InChIInChI=1S/C8H9N3S/c9-5-8(3-1-2-4-8)7-11-10-6-12-7/h6H,1-4H2
InChIKeyDZIHYKMYOXGBHO-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.87
Rot. Bonds1

About 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile

1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 130544123) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
PubChem CID130544123
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2nncs2)CCCC1
InChIInChI=1S/C8H9N3S/c9-5-8(3-1-2-4-8)7-11-10-6-12-7/h6H,1-4H2
InChIKeyDZIHYKMYOXGBHO-UHFFFAOYSA-N
XLogP1.87
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Cyclopentylmethyl)-1,3,4-thiadiazole
CID 91072838
2-(3-Methylhexan-3-yl)-1,3,4-thiadiazole
CID 131999159
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544106
1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544133
1-(1,3,4-Thiadiazol-2-yl)cyclobutane-1-carbonitrile
CID 130544245
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carbonitrile
CID 130544285
2-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130834433

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (CID 130544123) is 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is N#CC1(c2nncs2)CCCC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is DZIHYKMYOXGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-5-8(3-1-2-4-8)7-11-10-6-12-7/h6H,1-4H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 179.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130544123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).