1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

C11H21N3S — CID 112501302

IUPAC1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(CCN)cs1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyACKPWEMJYUZYET-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.05
Rot. Bonds6

About 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine

1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (PubChem CID 112501302) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
PubChem CID112501302
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(CCN)cs1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3
InChIKeyACKPWEMJYUZYET-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine 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

1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
CID 165485806
2-N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114275869
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
CID 82163081
2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026661
2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026658
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 66390563
N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
CID 84750392
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83886105
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The IUPAC name of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine (CID 112501302) is 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is CCN(CC)C(C)c1nc(CCN)cs1.
What is the InChIKey of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
The InChIKey is ACKPWEMJYUZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-14(5-2)9(3)11-13-10(6-7-12)8-15-11/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine?
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 112501302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).