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

C9H11N3S — CID 130834433

IUPAC2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)c1nncs1
InChIInChI=1S/C9H11N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-4H2,1H3
InChIKeyKFNHSRONLMPVAK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.12
Rot. Bonds1

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

2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 130834433) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
PubChem CID130834433
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)c1nncs1
InChIInChI=1S/C9H11N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-4H2,1H3
InChIKeyKFNHSRONLMPVAK-UHFFFAOYSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544106
1-(1,3,4-Thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544123
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carbonitrile
CID 130544285
2-(1,3,4-Thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
CID 130544487
[2-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine
CID 131043383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (CID 130834433) is 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is CC1CCCC1(C#N)c1nncs1.
What is the InChIKey of 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is KFNHSRONLMPVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-4H2,1H3.
What are the key properties of 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130834433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).