1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

C15H28N4OS — CID 107510640

IUPAC1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1sc(N2CC(C)C(N(C)C)C2)nc1COC
InChIInChI=1S/C15H28N4OS/c1-6-16-7-14-12(10-20-5)17-15(21-14)19-8-11(2)13(9-19)18(3)4/h11,13,16H,6-10H2,1-5H3
InChIKeyNDMVWZBQRHKITA-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.79
Rot. Bonds7

About 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 107510640) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID107510640
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1sc(N2CC(C)C(N(C)C)C2)nc1COC
InChIInChI=1S/C15H28N4OS/c1-6-16-7-14-12(10-20-5)17-15(21-14)19-8-11(2)13(9-19)18(3)4/h11,13,16H,6-10H2,1-5H3
InChIKeyNDMVWZBQRHKITA-UHFFFAOYSA-N
XLogP1.79
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (CID 107510640) is 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is CCNCc1sc(N2CC(C)C(N(C)C)C2)nc1COC.
What is the InChIKey of 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is NDMVWZBQRHKITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-6-16-7-14-12(10-20-5)17-15(21-14)19-8-11(2)13(9-19)18(3)4/h11,13,16H,6-10H2,1-5H3.
What are the key properties of 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 312.48 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 107510640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).