[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine

C14H23N3OS — CID 120781234

IUPAC[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cnc(C3CCCO3)s2)C1
InChIInChI=1S/C14H23N3OS/c1-14(9-15)4-5-17(10-14)8-11-7-16-13(19-11)12-3-2-6-18-12/h7,12H,2-6,8-10,15H2,1H3
InChIKeyYRIIZDMSEQUMOD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.17
Rot. Bonds4

About [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120781234) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120781234
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cnc(C3CCCO3)s2)C1
InChIInChI=1S/C14H23N3OS/c1-14(9-15)4-5-17(10-14)8-11-7-16-13(19-11)12-3-2-6-18-12/h7,12H,2-6,8-10,15H2,1H3
InChIKeyYRIIZDMSEQUMOD-UHFFFAOYSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-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

5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 120780538
2-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 115021526
3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115035808
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
3-methyl-1-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529355
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120846916
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (CID 120781234) is [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2cnc(C3CCCO3)s2)C1.
What is the InChIKey of [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is YRIIZDMSEQUMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(9-15)4-5-17(10-14)8-11-7-16-13(19-11)12-3-2-6-18-12/h7,12H,2-6,8-10,15H2,1H3.
What are the key properties of [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).