N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

C7H12N4S — CID 65276205

IUPACN-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCN2)n1
InChIInChI=1S/C7H12N4S/c1-2-6(8-3-1)4-9-7-10-5-11-12-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyYIWDRJPAGWUZIK-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.70
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276205) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276205
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCCN2)n1
InChIInChI=1S/C7H12N4S/c1-2-6(8-3-1)4-9-7-10-5-11-12-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyYIWDRJPAGWUZIK-UHFFFAOYSA-N
XLogP0.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 18999085
N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
N-(3-fluorocyclopentyl)-1,2,4-thiadiazol-5-amine
CID 130742298
N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
CID 131185858
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 15813437
5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 15813438
5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
5-((1R)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 45099833
5-((1S)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 45099834
N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 57855164
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65276205) is N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCCN2)n1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YIWDRJPAGWUZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-6(8-3-1)4-9-7-10-5-11-12-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 184.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).