5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile

C7H8N2OS — CID 130852480

IUPAC5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc([C@@H](N)CO)s1
InChIInChI=1S/C7H8N2OS/c8-3-5-1-2-7(11-5)6(9)4-10/h1-2,6,10H,4,9H2/t6-/m0/s1
InChIKeyZGUWQMYQQDCLNE-LURJTMIESA-N
MW168.22 g/mol
LogP0.61
Rot. Bonds2

About 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile

5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile (PubChem CID 130852480) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
PubChem CID130852480
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc([C@@H](N)CO)s1
InChIInChI=1S/C7H8N2OS/c8-3-5-1-2-7(11-5)6(9)4-10/h1-2,6,10H,4,9H2/t6-/m0/s1
InChIKeyZGUWQMYQQDCLNE-LURJTMIESA-N
XLogP0.61
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(5-cyanothiophen-2-yl)propanoic acid
CID 130675880
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
5-[(1R)-1-amino-2-hydroxyethyl]thiophene-2-carboxylic acid
CID 130634208
methyl 3-(5-cyanothiophen-2-yl)-2,3-dihydroxypropanoate
CID 171865412
5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
(2R)-2-amino-2-(5-nitrothiophen-2-yl)ethanol;hydrochloride
CID 171216766
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
5-acetylthiophene-2-carbonitrile;5-(1-aminoethyl)thiophene-2-carbonitrile;5-[(E)-N-hydroxy-C-methylcarbonimidoyl]thiophene-2-carbonitrile;hydrochloride
CID 172966355
5-[(1-hydroxybutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675340

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile (CID 130852480) is 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile is N#Cc1ccc([C@@H](N)CO)s1.
What is the InChIKey of 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile?
The InChIKey is ZGUWQMYQQDCLNE-LURJTMIESA-N. The full InChI is InChI=1S/C7H8N2OS/c8-3-5-1-2-7(11-5)6(9)4-10/h1-2,6,10H,4,9H2/t6-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile?
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile has a molecular weight of 168.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 130852480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).