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

C17H24N2OS — CID 126787533

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCc1nc(C)c(C(C)N(C)Cc2ccccc2OC)s1
InChIInChI=1S/C17H24N2OS/c1-6-16-18-12(2)17(21-16)13(3)19(4)11-14-9-7-8-10-15(14)20-5/h7-10,13H,6,11H2,1-5H3
InChIKeyCHYIXMQTIMZNMO-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.22
Rot. Bonds6

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

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 126787533) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID126787533
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCCc1nc(C)c(C(C)N(C)Cc2ccccc2OC)s1
InChIInChI=1S/C17H24N2OS/c1-6-16-18-12(2)17(21-16)13(3)19(4)11-14-9-7-8-10-15(14)20-5/h7-10,13H,6,11H2,1-5H3
InChIKeyCHYIXMQTIMZNMO-UHFFFAOYSA-N
XLogP4.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95282474
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 102558205
6-[1-[(2-methoxyphenyl)methyl-methylamino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17449981
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (CID 126787533) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is CCc1nc(C)c(C(C)N(C)Cc2ccccc2OC)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is CHYIXMQTIMZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-16-18-12(2)17(21-16)13(3)19(4)11-14-9-7-8-10-15(14)20-5/h7-10,13H,6,11H2,1-5H3.
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 126787533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).