N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 65277117

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(9)16/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyBRIUHZPUBWXBTP-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.31
Rot. Bonds3

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277117) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277117
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCN3CCCC23)n1
InChIInChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(9)16/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyBRIUHZPUBWXBTP-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
3-Propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71924184
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304860
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107305289
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 15813435
5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 15813436
5-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 67783458
5-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 67783853
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267563
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267753
3-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271317

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65277117) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCN3CCCC23)n1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BRIUHZPUBWXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(9)16/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).