1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine

C16H23N3S — CID 71999834

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCCc1nc(C)c(C(C)N(C)CCc2ccccn2)s1
InChIInChI=1S/C16H23N3S/c1-5-15-18-12(2)16(20-15)13(3)19(4)11-9-14-8-6-7-10-17-14/h6-8,10,13H,5,9,11H2,1-4H3
InChIKeyGWJJNDTZEWSBMC-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 71999834) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID71999834
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCCc1nc(C)c(C(C)N(C)CCc2ccccn2)s1
InChIInChI=1S/C16H23N3S/c1-5-15-18-12(2)16(20-15)13(3)19(4)11-9-14-8-6-7-10-17-14/h6-8,10,13H,5,9,11H2,1-4H3
InChIKeyGWJJNDTZEWSBMC-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine (CID 71999834) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine is CCc1nc(C)c(C(C)N(C)CCc2ccccn2)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is GWJJNDTZEWSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-15-18-12(2)16(20-15)13(3)19(4)11-9-14-8-6-7-10-17-14/h6-8,10,13H,5,9,11H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.64, 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-methyl-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 71999834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).