N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine

C13H23N3S — CID 114275861

IUPACN-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNCCc1csc(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)11-5-7-16(8-11)13-15-12(9-17-13)4-6-14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyKGLUUZBKUJBMQU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.39
Rot. Bonds5

About N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine

N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 114275861) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID114275861
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCNCCc1csc(N2CCC(C(C)C)C2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)11-5-7-16(8-11)13-15-12(9-17-13)4-6-14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyKGLUUZBKUJBMQU-UHFFFAOYSA-N
XLogP2.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine (CID 114275861) is N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine is CNCCc1csc(N2CCC(C(C)C)C2)n1.
What is the InChIKey of N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is KGLUUZBKUJBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)11-5-7-16(8-11)13-15-12(9-17-13)4-6-14-3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 114275861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).