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

C11H20N4S — CID 65267685

IUPAC3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C11H20N4S/c1-8(2)15-5-4-10(7-15)6-12-11-13-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyAEFUCSVEZPKPPE-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.99
Rot. Bonds4

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

3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65267685) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65267685
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C11H20N4S/c1-8(2)15-5-4-10(7-15)6-12-11-13-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyAEFUCSVEZPKPPE-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65267685) is 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCN(C(C)C)C2)n1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is AEFUCSVEZPKPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)15-5-4-10(7-15)6-12-11-13-9(3)14-16-11/h8,10H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).