1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea

C10H15N3OS — CID 87650524

IUPAC1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea
SMILESNCCCNC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C10H15N3OS/c11-6-1-7-12-10(15)13-8-2-4-9(14)5-3-8/h2-5,14H,1,6-7,11H2,(H2,12,13,15)
InChIKeyXXROQFJRFKEOFR-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.03
Rot. Bonds4

About 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea

1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea (PubChem CID 87650524) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea
PubChem CID87650524
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea
SMILESNCCCNC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C10H15N3OS/c11-6-1-7-12-10(15)13-8-2-4-9(14)5-3-8/h2-5,14H,1,6-7,11H2,(H2,12,13,15)
InChIKeyXXROQFJRFKEOFR-UHFFFAOYSA-N
XLogP1.03
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[12-[(4-fluorophenyl)carbamothioylamino]dodecyl]thiourea
CID 4549456
1-phenyl-3-[7-(phenylcarbamothioylamino)heptyl]thiourea
CID 3094104
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-(aminomethyl)-3-(4-chlorophenyl)thiourea
CID 57365425
1-(4-fluorophenyl)-3-pentylthiourea
CID 19650686
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
ethyl 4-[2-(4-hydroxyphenyl)ethylcarbamothioylamino]benzoate
CID 5100740
1-(4-bromophenyl)-3-[3-(4-chlorophenyl)propyl]thiourea
CID 100672550
1-(4-methylphenyl)-3-(3-methylsulfanylpropyl)thiourea
CID 2446999
1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea
CID 2285324
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
4-(2-aminoethylamino)phenol
CID 15538569

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea?
The IUPAC name of 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea (CID 87650524) is 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea.
What is the SMILES notation for 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea?
The canonical SMILES for 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea is NCCCNC(=S)Nc1ccc(O)cc1.
What is the InChIKey of 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea?
The InChIKey is XXROQFJRFKEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-6-1-7-12-10(15)13-8-2-4-9(14)5-3-8/h2-5,14H,1,6-7,11H2,(H2,12,13,15).
What are the key properties of 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea?
1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea has a molecular weight of 225.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(4-hydroxyphenyl)thiourea is sourced from PubChem (CID 87650524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).