2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol

C8H15N3OS — CID 57138995

IUPAC2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol
SMILESCSC(CN)c1ncc(CCO)[nH]1
InChIInChI=1S/C8H15N3OS/c1-13-7(4-9)8-10-5-6(11-8)2-3-12/h5,7,12H,2-4,9H2,1H3,(H,10,11)
InChIKeyZWCQWULEDZEYNM-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.31
Rot. Bonds5

About 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol

2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol (PubChem CID 57138995) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol
PubChem CID57138995
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol
SMILESCSC(CN)c1ncc(CCO)[nH]1
InChIInChI=1S/C8H15N3OS/c1-13-7(4-9)8-10-5-6(11-8)2-3-12/h5,7,12H,2-4,9H2,1H3,(H,10,11)
InChIKeyZWCQWULEDZEYNM-UHFFFAOYSA-N
XLogP0.31
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol?
The IUPAC name of 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol (CID 57138995) is 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol is CSC(CN)c1ncc(CCO)[nH]1.
What is the InChIKey of 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol?
The InChIKey is ZWCQWULEDZEYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-13-7(4-9)8-10-5-6(11-8)2-3-12/h5,7,12H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol?
2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol has a molecular weight of 201.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1-methylsulfanylethyl)-1H-imidazol-5-yl]ethanol is sourced from PubChem (CID 57138995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).