4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

C12H23N3OS — CID 134590624

IUPAC4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(CN(C)C)cs1
InChIInChI=1S/C12H23N3OS/c1-5-15(7-8-16-6-2)12-13-11(10-17-12)9-14(3)4/h10H,5-9H2,1-4H3
InChIKeyUYKYNTMBUXBGSL-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.07
Rot. Bonds8

About 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 134590624) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID134590624
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(CN(C)C)cs1
InChIInChI=1S/C12H23N3OS/c1-5-15(7-8-16-6-2)12-13-11(10-17-12)9-14(3)4/h10H,5-9H2,1-4H3
InChIKeyUYKYNTMBUXBGSL-UHFFFAOYSA-N
XLogP2.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79399183
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
N-(2-ethoxyethyl)-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545196
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
CID 102998732
N-(2-chloroethyl)-N,4-diethyl-1,3-thiazol-2-amine
CID 63392590
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
CID 63697554
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
CID 62961171
4-bromo-N-(2-ethoxyethyl)-N-methyl-1,3-thiazol-2-amine
CID 67962478
N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998287
N,N-diethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine
CID 59569175

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (CID 134590624) is 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is CCOCCN(CC)c1nc(CN(C)C)cs1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is UYKYNTMBUXBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-15(7-8-16-6-2)12-13-11(10-17-12)9-14(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 134590624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).