1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine

C16H22N2S — CID 62904548

IUPAC1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H22N2S/c1-5-17-13(4)15-10-18-16(19-15)9-14-7-6-11(2)12(3)8-14/h6-8,10,13,17H,5,9H2,1-4H3
InChIKeyAUSVLADLHRLBFK-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.02
Rot. Bonds5

About 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 62904548) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID62904548
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H22N2S/c1-5-17-13(4)15-10-18-16(19-15)9-14-7-6-11(2)12(3)8-14/h6-8,10,13,17H,5,9H2,1-4H3
InChIKeyAUSVLADLHRLBFK-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651177
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63024387
N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964670
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154
N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62652461
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
1-[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66146662
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 106815131
2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine (CID 62904548) is 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(Cc2ccc(C)c(C)c2)s1.
What is the InChIKey of 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is AUSVLADLHRLBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-17-13(4)15-10-18-16(19-15)9-14-7-6-11(2)12(3)8-14/h6-8,10,13,17H,5,9H2,1-4H3.
What are the key properties of 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62904548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).