4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

C16H23N3S — CID 65486953

IUPAC4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCc2ccccc2)sc1CNC
InChIInChI=1S/C16H23N3S/c1-4-14-15(12-17-2)20-16(18-14)19(3)11-10-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3
InChIKeyFSCFMTQFMYUHID-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.10
Rot. Bonds7

About 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 65486953) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID65486953
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCc2ccccc2)sc1CNC
InChIInChI=1S/C16H23N3S/c1-4-14-15(12-17-2)20-16(18-14)19(3)11-10-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3
InChIKeyFSCFMTQFMYUHID-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117566
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 107509600
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55125918
N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768385
4-ethyl-N-(3-methoxyphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62767007
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 65486953) is 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CCc2ccccc2)sc1CNC.
What is the InChIKey of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is FSCFMTQFMYUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-14-15(12-17-2)20-16(18-14)19(3)11-10-13-8-6-5-7-9-13/h5-9,17H,4,10-12H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65486953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).