N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 65268339

IUPACN-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(N2CCCC2)ns1
InChIInChI=1S/C10H18N4S/c1-8(2)7-11-10-12-9(13-15-10)14-5-3-4-6-14/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyADUWLJGDCHPPGS-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.21
Rot. Bonds4

About N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268339) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268339
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(N2CCCC2)ns1
InChIInChI=1S/C10H18N4S/c1-8(2)7-11-10-12-9(13-15-10)14-5-3-4-6-14/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyADUWLJGDCHPPGS-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine (CID 65268339) is N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(N2CCCC2)ns1.
What is the InChIKey of N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ADUWLJGDCHPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(2)7-11-10-12-9(13-15-10)14-5-3-4-6-14/h8H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).