5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine

C9H16N4S — CID 131014603

IUPAC5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCCCC1CCCN1c1nc(N)ns1
InChIInChI=1S/C9H16N4S/c1-2-4-7-5-3-6-13(7)9-11-8(10)12-14-9/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyWIRRHEOEHUXEKQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.89
Rot. Bonds3

About 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine

5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 131014603) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID131014603
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESCCCC1CCCN1c1nc(N)ns1
InChIInChI=1S/C9H16N4S/c1-2-4-7-5-3-6-13(7)9-11-8(10)12-14-9/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyWIRRHEOEHUXEKQ-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280341
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine
CID 82751546
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
2-(2-propylpiperidin-1-yl)-1,3-benzothiazol-6-amine
CID 83053118
2-(2-propylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 83062024
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 83061710
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine (CID 131014603) is 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine is CCCC1CCCN1c1nc(N)ns1.
What is the InChIKey of 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WIRRHEOEHUXEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-4-7-5-3-6-13(7)9-11-8(10)12-14-9/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 131014603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).