N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine

C12H23N3S — CID 79771732

IUPACN-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(CC)CC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-13-12-14-7-11(16-12)9-15(6-2)8-10(3)4/h7,10H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyBUWXGNGGGNZEMV-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.05
Rot. Bonds7

About N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine

N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79771732) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79771732
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(CC)CC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-13-12-14-7-11(16-12)9-15(6-2)8-10(3)4/h7,10H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyBUWXGNGGGNZEMV-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-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 N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine (CID 79771732) is N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN(CC)CC(C)C)s1.
What is the InChIKey of N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BUWXGNGGGNZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-13-12-14-7-11(16-12)9-15(6-2)8-10(3)4/h7,10H,5-6,8-9H2,1-4H3,(H,13,14).
What are the key properties of N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).