N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine

C16H22N2OS — CID 82103175

IUPACN-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccccc2OCC)cs1
InChIInChI=1S/C16H22N2OS/c1-3-10-17-11-9-16-18-14(12-20-16)13-7-5-6-8-15(13)19-4-2/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyAFMVNPLSSHJPAG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.75
Rot. Bonds8

About N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine

N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (PubChem CID 82103175) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
PubChem CID82103175
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccccc2OCC)cs1
InChIInChI=1S/C16H22N2OS/c1-3-10-17-11-9-16-18-14(12-20-16)13-7-5-6-8-15(13)19-4-2/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyAFMVNPLSSHJPAG-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine (CID 82103175) is N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nc(-c2ccccc2OCC)cs1.
What is the InChIKey of N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is AFMVNPLSSHJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-10-17-11-9-16-18-14(12-20-16)13-7-5-6-8-15(13)19-4-2/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine?
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82103175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).