N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine

C15H20N2S — CID 61332174

IUPACN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nc(CC)c(C)s1
InChIInChI=1S/C15H20N2S/c1-4-13-11(3)18-15(17-13)14(16-5-2)12-9-7-6-8-10-12/h6-10,14,16H,4-5H2,1-3H3
InChIKeyRSSCTDIAWLKAIZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine (PubChem CID 61332174) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
PubChem CID61332174
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nc(CC)c(C)s1
InChIInChI=1S/C15H20N2S/c1-4-13-11(3)18-15(17-13)14(16-5-2)12-9-7-6-8-10-12/h6-10,14,16H,4-5H2,1-3H3
InChIKeyRSSCTDIAWLKAIZ-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61332177
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135561
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 61332131
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 61330628
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 61332919
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 61330235
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
N-benzhydrylethanamine;ethane
CID 142974710
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106818049
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine (CID 61332174) is N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1nc(CC)c(C)s1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine?
The InChIKey is RSSCTDIAWLKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-13-11(3)18-15(17-13)14(16-5-2)12-9-7-6-8-10-12/h6-10,14,16H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine?
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine is sourced from PubChem (CID 61332174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).