2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

C8H11NO2S — CID 130685032

IUPAC2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CO)s1
InChIInChI=1S/C8H11NO2S/c1-6-2-3-7(12-6)4-9-8(11)5-10/h2-3,10H,4-5H2,1H3,(H,9,11)
InChIKeyJGUIPVKXMZJHBJ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.67
Rot. Bonds3

About 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 130685032) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID130685032
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CO)s1
InChIInChI=1S/C8H11NO2S/c1-6-2-3-7(12-6)4-9-8(11)5-10/h2-3,10H,4-5H2,1H3,(H,9,11)
InChIKeyJGUIPVKXMZJHBJ-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
CID 51082921
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62057057
2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 71913402

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 130685032) is 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CO)s1.
What is the InChIKey of 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is JGUIPVKXMZJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-2-3-7(12-6)4-9-8(11)5-10/h2-3,10H,4-5H2,1H3,(H,9,11).
What are the key properties of 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 185.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 130685032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).