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

C10H13N3S — CID 130544111

IUPAC3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1nnc(C2(C#N)CCC(C)C2)s1
InChIInChI=1S/C10H13N3S/c1-7-3-4-10(5-7,6-11)9-13-12-8(2)14-9/h7H,3-5H2,1-2H3
InChIKeySUESRPRSEFMSSD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.43
Rot. Bonds1

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

3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 130544111) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
PubChem CID130544111
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1nnc(C2(C#N)CCC(C)C2)s1
InChIInChI=1S/C10H13N3S/c1-7-3-4-10(5-7,6-11)9-13-12-8(2)14-9/h7H,3-5H2,1-2H3
InChIKeySUESRPRSEFMSSD-UHFFFAOYSA-N
XLogP2.43
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.43
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-Cyclopentyl-5-methyl-1,3,4-thiadiazole;ethane
CID 178061310
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile (CID 130544111) is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is Cc1nnc(C2(C#N)CCC(C)C2)s1.
What is the InChIKey of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is SUESRPRSEFMSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-3-4-10(5-7,6-11)9-13-12-8(2)14-9/h7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile?
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130544111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).