[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

C16H21N3S — CID 62062365

IUPAC[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(-c2nc(CN3CCC(CN)C3)cs2)cc1
InChIInChI=1S/C16H21N3S/c1-12-2-4-14(5-3-12)16-18-15(11-20-16)10-19-7-6-13(8-17)9-19/h2-5,11,13H,6-10,17H2,1H3
InChIKeyMMOSNVSJPSNNKO-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.90
Rot. Bonds4

About [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62062365) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID62062365
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccc(-c2nc(CN3CCC(CN)C3)cs2)cc1
InChIInChI=1S/C16H21N3S/c1-12-2-4-14(5-3-12)16-18-15(11-20-16)10-19-7-6-13(8-17)9-19/h2-5,11,13H,6-10,17H2,1H3
InChIKeyMMOSNVSJPSNNKO-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine 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-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62063779
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (CID 62062365) is [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is Cc1ccc(-c2nc(CN3CCC(CN)C3)cs2)cc1.
What is the InChIKey of [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is MMOSNVSJPSNNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-2-4-14(5-3-12)16-18-15(11-20-16)10-19-7-6-13(8-17)9-19/h2-5,11,13H,6-10,17H2,1H3.
What are the key properties of [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62062365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).