N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine

C16H23N3OS — CID 75374971

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCCOC(C)c1nc(CN(C)C(C)c2ccncc2)cs1
InChIInChI=1S/C16H23N3OS/c1-5-20-13(3)16-18-15(11-21-16)10-19(4)12(2)14-6-8-17-9-7-14/h6-9,11-13H,5,10H2,1-4H3
InChIKeyZQHLQRRYGUGAFO-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.83
Rot. Bonds7

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 75374971) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
PubChem CID75374971
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCCOC(C)c1nc(CN(C)C(C)c2ccncc2)cs1
InChIInChI=1S/C16H23N3OS/c1-5-20-13(3)16-18-15(11-21-16)10-19(4)12(2)14-6-8-17-9-7-14/h6-9,11-13H,5,10H2,1-4H3
InChIKeyZQHLQRRYGUGAFO-UHFFFAOYSA-N
XLogP3.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine (CID 75374971) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine is CCOC(C)c1nc(CN(C)C(C)c2ccncc2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is ZQHLQRRYGUGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-20-13(3)16-18-15(11-21-16)10-19(4)12(2)14-6-8-17-9-7-14/h6-9,11-13H,5,10H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 75374971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).