N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C18H25N3S — CID 68668977

IUPACN-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN1CCCC1CCN(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C18H25N3S/c1-20-11-5-8-17(20)9-12-21(15-18-19-10-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14-15H2,1H3
InChIKeyMKKKMFMPDZESFH-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.63
Rot. Bonds7

About N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 68668977) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID68668977
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCN1CCCC1CCN(Cc1ccccc1)Cc1nccs1
InChIInChI=1S/C18H25N3S/c1-20-11-5-8-17(20)9-12-21(15-18-19-10-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14-15H2,1H3
InChIKeyMKKKMFMPDZESFH-UHFFFAOYSA-N
XLogP3.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 10270921
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
3-[[(4-tert-butylphenyl)methyl-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]amino]methyl]phenol
CID 10177825
N-benzyl-3-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 50960138
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
CID 24988040
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
[5-[[benzyl(1,3-thiazol-2-ylmethyl)amino]methyl]-2-methoxyphenyl]methanol
CID 46992736

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 68668977) is N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CN1CCCC1CCN(Cc1ccccc1)Cc1nccs1.
What is the InChIKey of N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is MKKKMFMPDZESFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-20-11-5-8-17(20)9-12-21(15-18-19-10-13-22-18)14-16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14-15H2,1H3.
What are the key properties of N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 315.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 68668977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).