N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine

C14H21N3S2 — CID 62462221

IUPACN-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(CC)Cc2cccs2)cs1
InChIInChI=1S/C14H21N3S2/c1-3-15-8-14-16-12(11-19-14)9-17(4-2)10-13-6-5-7-18-13/h5-7,11,15H,3-4,8-10H2,1-2H3
InChIKeyOUXPYRQMOCGVMK-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.34
Rot. Bonds8

About N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62462221) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62462221
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(CC)Cc2cccs2)cs1
InChIInChI=1S/C14H21N3S2/c1-3-15-8-14-16-12(11-19-14)9-17(4-2)10-13-6-5-7-18-13/h5-7,11,15H,3-4,8-10H2,1-2H3
InChIKeyOUXPYRQMOCGVMK-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine 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-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606920
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436536
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476
N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 55387548
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62462221) is N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN(CC)Cc2cccs2)cs1.
What is the InChIKey of N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is OUXPYRQMOCGVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-3-15-8-14-16-12(11-19-14)9-17(4-2)10-13-6-5-7-18-13/h5-7,11,15H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 295.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62462221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).