2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol

C15H21N3OS — CID 51254106

IUPAC2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C15H21N3OS/c1-2-8-18(9-10-19)11-14-12-20-15(17-14)16-13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,17)
InChIKeyQKGADEZKFVGPJD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.09
Rot. Bonds8

About 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol

2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol (PubChem CID 51254106) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
PubChem CID51254106
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C15H21N3OS/c1-2-8-18(9-10-19)11-14-12-20-15(17-14)16-13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,17)
InChIKeyQKGADEZKFVGPJD-UHFFFAOYSA-N
XLogP3.09
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol (CID 51254106) is 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol?
The InChIKey is QKGADEZKFVGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-8-18(9-10-19)11-14-12-20-15(17-14)16-13-6-4-3-5-7-13/h3-7,12,19H,2,8-11H2,1H3,(H,16,17).
What are the key properties of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol?
2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol has a molecular weight of 291.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 51254106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).