2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

C13H23N3S — CID 115090125

IUPAC2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCN1CCC(Cc2ncc(CCNC)s2)C1
InChIInChI=1S/C13H23N3S/c1-3-16-7-5-11(10-16)8-13-15-9-12(17-13)4-6-14-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyCQIYSUKXHSPBFD-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine

2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115090125) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115090125
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCN1CCC(Cc2ncc(CCNC)s2)C1
InChIInChI=1S/C13H23N3S/c1-3-16-7-5-11(10-16)8-13-15-9-12(17-13)4-6-14-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyCQIYSUKXHSPBFD-UHFFFAOYSA-N
XLogP1.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090123
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090126
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090127
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090291
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;trihydrobromide
CID 42604520
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine (CID 115090125) is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is CCN1CCC(Cc2ncc(CCNC)s2)C1.
What is the InChIKey of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is CQIYSUKXHSPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-16-7-5-11(10-16)8-13-15-9-12(17-13)4-6-14-2/h9,11,14H,3-8,10H2,1-2H3.
What are the key properties of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine?
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 253.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115090125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).