1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile

C9H11N3S — CID 130544133

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1nnc(C2(C#N)CCCC2)s1
InChIInChI=1S/C9H11N3S/c1-7-11-12-8(13-7)9(6-10)4-2-3-5-9/h2-5H2,1H3
InChIKeyCZVLQDRPZIAPER-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.18
Rot. Bonds1

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile

1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 130544133) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
PubChem CID130544133
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1nnc(C2(C#N)CCCC2)s1
InChIInChI=1S/C9H11N3S/c1-7-11-12-8(13-7)9(6-10)4-2-3-5-9/h2-5H2,1H3
InChIKeyCZVLQDRPZIAPER-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopentyl-5-methyl-1,3,4-thiadiazole
CID 90287933
2-Cyclopentyl-5-ethyl-1,3,4-thiadiazole
CID 142566147
4-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carbonitrile
CID 142661053
2-Methyl-5-(4-methylheptan-4-yl)-1,3,4-thiadiazole
CID 143722668
2-Methyl-5-(2-methylhexan-2-yl)-1,3,4-thiadiazole
CID 169619644
2-Cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane
CID 178061310
2-(1-Chloroethyl)-5-(1-methylcyclopentyl)-1,3,4-thiadiazole
CID 80274368
2-Chloro-5-(1-methylcyclopentyl)-1,3,4-thiadiazole
CID 80275770
2-(Chloromethyl)-5-(1-methylcyclopentyl)-1,3,4-thiadiazole
CID 80275937
2-Iodo-5-(1-methylcyclopentyl)-1,3,4-thiadiazole
CID 80276190
3-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544106
3-Methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130544111

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (CID 130544133) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is Cc1nnc(C2(C#N)CCCC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is CZVLQDRPZIAPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-11-12-8(13-7)9(6-10)4-2-3-5-9/h2-5H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130544133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).