4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline

C16H23N3S — CID 105159159

IUPAC4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1csc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-5-17-16(10-14-11-20-12(2)18-14)13-6-8-15(9-7-13)19(3)4/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyKBSWCTWGGWDNCV-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.41
Rot. Bonds6

About 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline

4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline (PubChem CID 105159159) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
PubChem CID105159159
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
SMILESCCNC(Cc1csc(C)n1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-5-17-16(10-14-11-20-12(2)18-14)13-6-8-15(9-7-13)19(3)4/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyKBSWCTWGGWDNCV-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-hydrazinyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105316088
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62798639
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997064
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
1-(4-ethylsulfanylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106848941
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline (CID 105159159) is 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline is CCNC(Cc1csc(C)n1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is KBSWCTWGGWDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-17-16(10-14-11-20-12(2)18-14)13-6-8-15(9-7-13)19(3)4/h6-9,11,16-17H,5,10H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline?
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 289.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105159159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).