[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine

C9H15N3S — CID 130544577

IUPAC[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine
SMILESCC1CCC(CN)(c2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-2-3-9(4-7,5-10)8-11-6-12-13-8/h6-7H,2-5,10H2,1H3
InChIKeyBOFOGIWJMRSUPO-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.55
Rot. Bonds2

About [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine

[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine (PubChem CID 130544577) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine
PubChem CID130544577
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine
SMILESCC1CCC(CN)(c2ncns2)C1
InChIInChI=1S/C9H15N3S/c1-7-2-3-9(4-7,5-10)8-11-6-12-13-8/h6-7H,2-5,10H2,1H3
InChIKeyBOFOGIWJMRSUPO-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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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine (CID 130544577) is [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine is CC1CCC(CN)(c2ncns2)C1.
What is the InChIKey of [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine?
The InChIKey is BOFOGIWJMRSUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-2-3-9(4-7,5-10)8-11-6-12-13-8/h6-7H,2-5,10H2,1H3.
What are the key properties of [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine?
[3-methyl-1-(1,2,4-thiadiazol-5-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 [3-methyl-1-(1,2,4-thiadiazol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 130544577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).