[3-(4-hydroxyphenyl)propanoylamino]thiourea

C10H13N3O2S — CID 89489494

IUPAC[3-(4-hydroxyphenyl)propanoylamino]thiourea
SMILESNC(=S)NNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H13N3O2S/c11-10(16)13-12-9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2,(H,12,15)(H3,11,13,16)
InChIKeyYKBRWHKPVUKIDU-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.19
Rot. Bonds3

About [3-(4-hydroxyphenyl)propanoylamino]thiourea

[3-(4-hydroxyphenyl)propanoylamino]thiourea (PubChem CID 89489494) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)propanoylamino]thiourea.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)propanoylamino]thiourea
PubChem CID89489494
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name[3-(4-hydroxyphenyl)propanoylamino]thiourea
SMILESNC(=S)NNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H13N3O2S/c11-10(16)13-12-9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2,(H,12,15)(H3,11,13,16)
InChIKeyYKBRWHKPVUKIDU-UHFFFAOYSA-N
XLogP0.19
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-(4-hydroxyphenyl)-N-(1H-pyrazol-5-yl)propanamide
CID 110483844
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
carbonic acid;prop-2-enyl 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoate
CID 137423914
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
CID 87566146

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)propanoylamino]thiourea?
The IUPAC name of [3-(4-hydroxyphenyl)propanoylamino]thiourea (CID 89489494) is [3-(4-hydroxyphenyl)propanoylamino]thiourea.
What is the SMILES notation for [3-(4-hydroxyphenyl)propanoylamino]thiourea?
The canonical SMILES for [3-(4-hydroxyphenyl)propanoylamino]thiourea is NC(=S)NNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of [3-(4-hydroxyphenyl)propanoylamino]thiourea?
The InChIKey is YKBRWHKPVUKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-10(16)13-12-9(15)6-3-7-1-4-8(14)5-2-7/h1-2,4-5,14H,3,6H2,(H,12,15)(H3,11,13,16).
What are the key properties of [3-(4-hydroxyphenyl)propanoylamino]thiourea?
[3-(4-hydroxyphenyl)propanoylamino]thiourea has a molecular weight of 239.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)propanoylamino]thiourea is sourced from PubChem (CID 89489494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).