2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline

C15H19N3S — CID 69243244

IUPAC2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1CCN1CCCC1
InChIInChI=1S/C15H19N3S/c16-14-11-13(15-17-6-10-19-15)4-3-12(14)5-9-18-7-1-2-8-18/h3-4,6,10-11H,1-2,5,7-9,16H2
InChIKeyDTPBESXSLFTXQF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline

2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline (PubChem CID 69243244) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
PubChem CID69243244
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline
SMILESNc1cc(-c2nccs2)ccc1CCN1CCCC1
InChIInChI=1S/C15H19N3S/c16-14-11-13(15-17-6-10-19-15)4-3-12(14)5-9-18-7-1-2-8-18/h3-4,6,10-11H,1-2,5,7-9,16H2
InChIKeyDTPBESXSLFTXQF-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-1-ylethoxy)-5-(1,3-thiazol-2-yl)aniline
CID 82152217
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
5-(fluoromethyl)-2-(2-pyrrolidin-1-ylethyl)aniline
CID 89145585
1-[2-(2-chlorothiophen-3-yl)ethyl]pyrrolidine
CID 57428859
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
3-chloro-4-(2-pyrrolidin-1-ylethyl)aniline
CID 68818430
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine
CID 67293147
2-(3-phenylpropoxy)-5-(1,3-thiazol-2-yl)aniline
CID 94758847
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
CID 145091245
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 119087949

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline (CID 69243244) is 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline is Nc1cc(-c2nccs2)ccc1CCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline?
The InChIKey is DTPBESXSLFTXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-14-11-13(15-17-6-10-19-15)4-3-12(14)5-9-18-7-1-2-8-18/h3-4,6,10-11H,1-2,5,7-9,16H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline?
2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline has a molecular weight of 273.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-5-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 69243244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).