5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

C13H24N4S — CID 55162652

IUPAC5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCN2CCCC2)sc1CN
InChIInChI=1S/C13H24N4S/c1-3-11-12(10-14)18-13(15-11)16(2)8-9-17-6-4-5-7-17/h3-10,14H2,1-2H3
InChIKeyVTSBSHPZUKWYFE-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.70
Rot. Bonds6

About 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (PubChem CID 55162652) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
PubChem CID55162652
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCN2CCCC2)sc1CN
InChIInChI=1S/C13H24N4S/c1-3-11-12(10-14)18-13(15-11)16(2)8-9-17-6-4-5-7-17/h3-10,14H2,1-2H3
InChIKeyVTSBSHPZUKWYFE-UHFFFAOYSA-N
XLogP1.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine 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 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (CID 55162652) is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CCN2CCCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is VTSBSHPZUKWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-11-12(10-14)18-13(15-11)16(2)8-9-17-6-4-5-7-17/h3-10,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).