4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline

C16H23N3S — CID 61331388

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(N(C)C)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C16H23N3S/c1-6-17-15(16-18-11(2)12(3)20-16)13-7-9-14(10-8-13)19(4)5/h7-10,15,17H,6H2,1-5H3
InChIKeyKHBGFSAIQSXNPY-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.52
Rot. Bonds5

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline

4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline (PubChem CID 61331388) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
PubChem CID61331388
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
SMILESCCNC(c1ccc(N(C)C)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C16H23N3S/c1-6-17-15(16-18-11(2)12(3)20-16)13-7-9-14(10-8-13)19(4)5/h7-10,15,17H,6H2,1-5H3
InChIKeyKHBGFSAIQSXNPY-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 63667756
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline (CID 61331388) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline is CCNC(c1ccc(N(C)C)cc1)c1nc(C)c(C)s1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is KHBGFSAIQSXNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-6-17-15(16-18-11(2)12(3)20-16)13-7-9-14(10-8-13)19(4)5/h7-10,15,17H,6H2,1-5H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 289.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 61331388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).