N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 65271319

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C(C)C)ns1
InChIInChI=1S/C12H22N4S/c1-4-16-7-5-6-10(16)8-13-12-14-11(9(2)3)15-17-12/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNPRNEYVINAFDMS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.56
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65271319) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65271319
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1nc(C(C)C)ns1
InChIInChI=1S/C12H22N4S/c1-4-16-7-5-6-10(16)8-13-12-14-11(9(2)3)15-17-12/h9-10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNPRNEYVINAFDMS-UHFFFAOYSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65271319) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCN1CCCC1CNc1nc(C(C)C)ns1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NPRNEYVINAFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-16-7-5-6-10(16)8-13-12-14-11(9(2)3)15-17-12/h9-10H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).