N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine

C11H19N3S — CID 115090579

IUPACN-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCCCc1cnc(C2CCCN2)s1
InChIInChI=1S/C11H19N3S/c1-12-6-2-4-9-8-14-11(15-9)10-5-3-7-13-10/h8,10,12-13H,2-7H2,1H3
InChIKeyXZAAPGXCUPVMHB-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine

N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 115090579) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID115090579
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCCCc1cnc(C2CCCN2)s1
InChIInChI=1S/C11H19N3S/c1-12-6-2-4-9-8-14-11(15-9)10-5-3-7-13-10/h8,10,12-13H,2-7H2,1H3
InChIKeyXZAAPGXCUPVMHB-UHFFFAOYSA-N
XLogP1.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine 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

N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090291
N-methyl-2-[(2S)-piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124955227
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
5-cyclobutyl-2-piperidin-2-yl-1,3-thiazole
CID 115033669
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
1-(2-piperidin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 115090671
N-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089980
4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
CID 115091659
tert-butyl-dimethyl-[3-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenoxy]silane
CID 175089127

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine (CID 115090579) is N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine is CNCCCc1cnc(C2CCCN2)s1.
What is the InChIKey of N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is XZAAPGXCUPVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-6-2-4-9-8-14-11(15-9)10-5-3-7-13-10/h8,10,12-13H,2-7H2,1H3.
What are the key properties of N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine?
N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 115090579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).