N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C11H19N3S — CID 28781366

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(CNCCN2CCCC2)cs1
InChIInChI=1S/C11H19N3S/c1-10-13-11(9-15-10)8-12-4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3
InChIKeyUVIXLOUCDMMXSW-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.64
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 28781366) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID28781366
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(CNCCN2CCCC2)cs1
InChIInChI=1S/C11H19N3S/c1-10-13-11(9-15-10)8-12-4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3
InChIKeyUVIXLOUCDMMXSW-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine 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-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60701292
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052580
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 143940582
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
CID 64677705
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 28781366) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1nc(CNCCN2CCCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is UVIXLOUCDMMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10-13-11(9-15-10)8-12-4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 28781366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).