1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea

C11H16N2O2S — CID 2285324

IUPAC1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NCCCO)cc1
InChIInChI=1S/C11H16N2O2S/c1-15-10-5-3-9(4-6-10)13-11(16)12-7-2-8-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13,16)
InChIKeyWLKQSJMEQMRYAY-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.36
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea

1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea (PubChem CID 2285324) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea
PubChem CID2285324
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NCCCO)cc1
InChIInChI=1S/C11H16N2O2S/c1-15-10-5-3-9(4-6-10)13-11(16)12-7-2-8-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13,16)
InChIKeyWLKQSJMEQMRYAY-UHFFFAOYSA-N
XLogP1.36
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
1-[3-(4-methoxyphenyl)propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100677810
1-[3-(4-fluorophenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 100673662
1-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690
1-[4-(cyanomethyl)phenyl]-3-[3-(4-methoxyphenyl)propyl]thiourea
CID 100677333
1-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17272370
1-[3-(4-methoxyphenyl)sulfanylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100755456
1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)thiourea
CID 143565339
1-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8680445
1-[2-(1,3,2-dioxaphospholan-2-yloxy)ethyl]-3-(4-methoxyphenyl)thiourea
CID 134475077
1-(4-methoxyphenyl)-3-[3-[(4S)-5-oxo-1,4-dihydropyrazol-4-yl]propyl]thiourea
CID 7179510
1-[2-(4-bromophenyl)sulfanylethyl]-3-(4-methoxyphenyl)thiourea
CID 8680595

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea (CID 2285324) is 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)NCCCO)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea?
The InChIKey is WLKQSJMEQMRYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-10-5-3-9(4-6-10)13-11(16)12-7-2-8-14/h3-6,14H,2,7-8H2,1H3,(H2,12,13,16).
What are the key properties of 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea?
1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea has a molecular weight of 240.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 2285324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).