N-[(3-hydroxyphenyl)carbamothioyl]propanamide

C10H12N2O2S — CID 4939152

IUPACN-[(3-hydroxyphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C10H12N2O2S/c1-2-9(14)12-10(15)11-7-4-3-5-8(13)6-7/h3-6,13H,2H2,1H3,(H2,11,12,14,15)
InChIKeyQONWPFOEHPSSKL-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.62
Rot. Bonds2

About N-[(3-hydroxyphenyl)carbamothioyl]propanamide

N-[(3-hydroxyphenyl)carbamothioyl]propanamide (PubChem CID 4939152) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)carbamothioyl]propanamide
PubChem CID4939152
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-[(3-hydroxyphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C10H12N2O2S/c1-2-9(14)12-10(15)11-7-4-3-5-8(13)6-7/h3-6,13H,2H2,1H3,(H2,11,12,14,15)
InChIKeyQONWPFOEHPSSKL-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(propanoylcarbamothioylamino)benzamide
CID 17233204
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
2-methyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 17099676
N-[3-(pentanoylcarbamothioylamino)phenyl]hexanamide
CID 26161880
O-methyl N-(3-hydroxyphenyl)carbamothioate
CID 130011052
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1314274
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057
2-chloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1227605
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197
4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4934158
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]propanamide (CID 4939152) is N-[(3-hydroxyphenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)carbamothioyl]propanamide?
The InChIKey is QONWPFOEHPSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-9(14)12-10(15)11-7-4-3-5-8(13)6-7/h3-6,13H,2H2,1H3,(H2,11,12,14,15).
What are the key properties of N-[(3-hydroxyphenyl)carbamothioyl]propanamide?
N-[(3-hydroxyphenyl)carbamothioyl]propanamide has a molecular weight of 224.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 4939152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).