2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline

C16H21N3OS — CID 82152217

IUPAC2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1OCCN1CCCCC1
InChIInChI=1S/C16H21N3OS/c17-14-12-13(16-18-6-11-21-16)4-5-15(14)20-10-9-19-7-2-1-3-8-19/h4-6,11-12H,1-3,7-10,17H2
InChIKeyQSUXPUJIQFNGQH-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline

2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline (PubChem CID 82152217) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline
PubChem CID82152217
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1OCCN1CCCCC1
InChIInChI=1S/C16H21N3OS/c17-14-12-13(16-18-6-11-21-16)4-5-15(14)20-10-9-19-7-2-1-3-8-19/h4-6,11-12H,1-3,7-10,17H2
InChIKeyQSUXPUJIQFNGQH-UHFFFAOYSA-N
XLogP3.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
CID 69243244
2-(3-phenylpropoxy)-5-(1,3-thiazol-2-yl)aniline
CID 94758847
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
6-(2-pyrrolidin-1-ylethoxy)quinolin-5-amine
CID 61102865
4-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 62376118
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline (CID 82152217) is 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline is Nc1cc(-c2nccs2)ccc1OCCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline?
The InChIKey is QSUXPUJIQFNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-14-12-13(16-18-6-11-21-16)4-5-15(14)20-10-9-19-7-2-1-3-8-19/h4-6,11-12H,1-3,7-10,17H2.
What are the key properties of 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline?
2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline has a molecular weight of 303.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 82152217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).