2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol

C7H12N2OS — CID 69335057

IUPAC2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol
SMILESCc1cc(NCCO)sc1N
InChIInChI=1S/C7H12N2OS/c1-5-4-6(9-2-3-10)11-7(5)8/h4,9-10H,2-3,8H2,1H3
InChIKeyYAXUOOMCWROMEH-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.04
Rot. Bonds3

About 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol

2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol (PubChem CID 69335057) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol
PubChem CID69335057
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol
SMILESCc1cc(NCCO)sc1N
InChIInChI=1S/C7H12N2OS/c1-5-4-6(9-2-3-10)11-7(5)8/h4,9-10H,2-3,8H2,1H3
InChIKeyYAXUOOMCWROMEH-UHFFFAOYSA-N
XLogP1.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-aminothiophen-2-yl)amino]ethanol
CID 69334581
2-[(5-amino-3,4-dimethylthiophen-2-yl)amino]ethanol
CID 69333526
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
CID 605706
2-(4-amino-2,5-dimethylanilino)-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
CID 23467529
5-(2-hydroxyethylamino)-2-methylphenol;hydrochloride
CID 172550087
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
CID 174968035
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol?
The IUPAC name of 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol (CID 69335057) is 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol is Cc1cc(NCCO)sc1N.
What is the InChIKey of 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol?
The InChIKey is YAXUOOMCWROMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-4-6(9-2-3-10)11-7(5)8/h4,9-10H,2-3,8H2,1H3.
What are the key properties of 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol?
2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol has a molecular weight of 172.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylthiophen-2-yl)amino]ethanol is sourced from PubChem (CID 69335057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).