N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide

C11H14N2O2S — CID 17099992

IUPACN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cc(C)c(C)cc1O
InChIInChI=1S/C11H14N2O2S/c1-6-4-9(10(15)5-7(6)2)13-11(16)12-8(3)14/h4-5,15H,1-3H3,(H2,12,13,14,16)
InChIKeyGYQWLMKLLCFKOA-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.84
Rot. Bonds1

About N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide

N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide (PubChem CID 17099992) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
PubChem CID17099992
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cc(C)c(C)cc1O
InChIInChI=1S/C11H14N2O2S/c1-6-4-9(10(15)5-7(6)2)13-11(16)12-8(3)14/h4-5,15H,1-3H3,(H2,12,13,14,16)
InChIKeyGYQWLMKLLCFKOA-UHFFFAOYSA-N
XLogP1.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.84
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-hydroxy-4,5-dimethylphenyl)carbamothioyl]-3-methylbenzamide
CID 7325861
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
5-bromo-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1345965
(E)-3-(furan-2-yl)-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]prop-2-enamide
CID 884035
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 884841
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
N-[(2-fluoro-4-iodophenyl)carbamothioyl]acetamide
CID 17100462
N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1346607
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide (CID 17099992) is N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1cc(C)c(C)cc1O.
What is the InChIKey of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide?
The InChIKey is GYQWLMKLLCFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-6-4-9(10(15)5-7(6)2)13-11(16)12-8(3)14/h4-5,15H,1-3H3,(H2,12,13,14,16).
What are the key properties of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide?
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 17099992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).