N-[(2-hydroxyphenyl)carbamothioyl]acetamide

C9H10N2O2S — CID 13109787

IUPACN-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C9H10N2O2S/c1-6(12)10-9(14)11-7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H2,10,11,12,14)
InChIKeyZIZPBYCWCHDDNV-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.23
Rot. Bonds1

About N-[(2-hydroxyphenyl)carbamothioyl]acetamide

N-[(2-hydroxyphenyl)carbamothioyl]acetamide (PubChem CID 13109787) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]acetamide
PubChem CID13109787
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C9H10N2O2S/c1-6(12)10-9(14)11-7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H2,10,11,12,14)
InChIKeyZIZPBYCWCHDDNV-UHFFFAOYSA-N
XLogP1.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
N-[[2-[acetylcarbamothioyl(methyl)amino]phenyl]carbamothioyl]acetamide
CID 163627003
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
CID 17099992
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
2-(acetylcarbamothioylamino)-N-tert-butylbenzamide
CID 4936592
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17133732
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 884926

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]acetamide (CID 13109787) is N-[(2-hydroxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The InChIKey is ZIZPBYCWCHDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6(12)10-9(14)11-7-4-2-3-5-8(7)13/h2-5,13H,1H3,(H2,10,11,12,14).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
N-[(2-hydroxyphenyl)carbamothioyl]acetamide has a molecular weight of 210.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 13109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).