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

C15H19N3OS — CID 56813292

IUPAC2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1csc(Nc2ccccc2)n1)C1CC1
InChIInChI=1S/C15H19N3OS/c19-9-8-18(14-6-7-14)10-13-11-20-15(17-13)16-12-4-2-1-3-5-12/h1-5,11,14,19H,6-10H2,(H,16,17)
InChIKeyXHTIYZHEACLGTN-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.84
Rot. Bonds7

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

2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol (PubChem CID 56813292) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
PubChem CID56813292
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1csc(Nc2ccccc2)n1)C1CC1
InChIInChI=1S/C15H19N3OS/c19-9-8-18(14-6-7-14)10-13-11-20-15(17-13)16-12-4-2-1-3-5-12/h1-5,11,14,19H,6-10H2,(H,16,17)
InChIKeyXHTIYZHEACLGTN-UHFFFAOYSA-N
XLogP2.84
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-anilino-1,3-thiazol-4-yl)methyl-propylamino]ethanol
CID 51254106
N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123242
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
2-[cyclopropyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100477
2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 60510275
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
2-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78826317
4-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 111457010
4-[[(2S,6R)-4-[(2-anilino-1,3-thiazol-4-yl)methyl]-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 124881812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol (CID 56813292) is 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol is OCCN(Cc1csc(Nc2ccccc2)n1)C1CC1.
What is the InChIKey of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol?
The InChIKey is XHTIYZHEACLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-9-8-18(14-6-7-14)10-13-11-20-15(17-13)16-12-4-2-1-3-5-12/h1-5,11,14,19H,6-10H2,(H,16,17).
What are the key properties of 2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol?
2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol has a molecular weight of 289.40 g/mol, XLogP of 2.84, 7 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-cyclopropylamino]ethanol is sourced from PubChem (CID 56813292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).