[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine

C9H15N3S — CID 131043383

IUPAC[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine
SMILESCC1CCCC1(CN)c1nncs1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3
InChIKeyQOBFZVIMLKFVCU-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.55
Rot. Bonds2

About [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine

[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine (PubChem CID 131043383) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine
PubChem CID131043383
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine
SMILESCC1CCCC1(CN)c1nncs1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3
InChIKeyQOBFZVIMLKFVCU-UHFFFAOYSA-N
XLogP1.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,2-Dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107185467
3-[5-(2,2-Dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 107185473
2-[5-(2,2-Dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107185487
[4-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
CID 130544797
2-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carbonitrile
CID 130834433

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine?
The IUPAC name of [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine (CID 131043383) is [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine is CC1CCCC1(CN)c1nncs1.
What is the InChIKey of [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine?
The InChIKey is QOBFZVIMLKFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-3-2-4-9(7,5-10)8-12-11-6-13-8/h6-7H,2-5,10H2,1H3.
What are the key properties of [2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine?
[2-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopentyl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 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)cyclopentyl]methanamine is sourced from PubChem (CID 131043383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).