1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C17H28N6S — CID 71928246

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2sc(C)nc2C)C1
InChIInChI=1S/C17H28N6S/c1-6-23-13(3)19-20-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)18-14(4)24-16/h15H,6-11H2,1-5H3
InChIKeyFFPJYKZOTALKHG-UHFFFAOYSA-N
MW348.52 g/mol
LogP2.39
Rot. Bonds6

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928246) has the molecular formula C17H28N6S and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928246
Molecular FormulaC17H28N6S
Molecular Weight348.52 g/mol
Exact Mass348.21
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2sc(C)nc2C)C1
InChIInChI=1S/C17H28N6S/c1-6-23-13(3)19-20-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)18-14(4)24-16/h15H,6-11H2,1-5H3
InChIKeyFFPJYKZOTALKHG-UHFFFAOYSA-N
XLogP2.39
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928246) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(Cc2sc(C)nc2C)C1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is FFPJYKZOTALKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6S/c1-6-23-13(3)19-20-17(23)11-21(5)15-7-8-22(9-15)10-16-12(2)18-14(4)24-16/h15H,6-11H2,1-5H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 348.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).