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

C17H24N2OS — CID 116774268

IUPAC1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(C(OCC)c2ccccc2)nc1C
InChIInChI=1S/C17H24N2OS/c1-5-18-12(3)16-13(4)19-17(21-16)15(20-6-2)14-10-8-7-9-11-14/h7-12,15,18H,5-6H2,1-4H3
InChIKeySLBGYZCWQVSRDT-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.25
Rot. Bonds7

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

1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 116774268) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID116774268
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(C(OCC)c2ccccc2)nc1C
InChIInChI=1S/C17H24N2OS/c1-5-18-12(3)16-13(4)19-17(21-16)15(20-6-2)14-10-8-7-9-11-14/h7-12,15,18H,5-6H2,1-4H3
InChIKeySLBGYZCWQVSRDT-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774375
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
N-ethyl-1-[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 55222339
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774273
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727560
2-[ethoxy(phenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774431
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 116774268) is 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(C(OCC)c2ccccc2)nc1C.
What is the InChIKey of 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is SLBGYZCWQVSRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-18-12(3)16-13(4)19-17(21-16)15(20-6-2)14-10-8-7-9-11-14/h7-12,15,18H,5-6H2,1-4H3.
What are the key properties of 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 116774268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).