1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea

C14H16N2O2S — CID 110891086

IUPAC1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(NCCCO)Nc1ccccc1-c1cccs1
InChIInChI=1S/C14H16N2O2S/c17-9-4-8-15-14(18)16-12-6-2-1-5-11(12)13-7-3-10-19-13/h1-3,5-7,10,17H,4,8-9H2,(H2,15,16,18)
InChIKeyHBGSVJDUUPEYEL-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea

1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea (PubChem CID 110891086) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
PubChem CID110891086
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea
SMILESO=C(NCCCO)Nc1ccccc1-c1cccs1
InChIInChI=1S/C14H16N2O2S/c17-9-4-8-15-14(18)16-12-6-2-1-5-11(12)13-7-3-10-19-13/h1-3,5-7,10,17H,4,8-9H2,(H2,15,16,18)
InChIKeyHBGSVJDUUPEYEL-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-[2-(3,4,5-trifluorophenyl)phenyl]urea
CID 111618299
3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 60850106
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
4-chloro-N-[4-oxo-4-(2-thiophen-2-ylanilino)butyl]benzamide
CID 55469548
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 94652918
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
1-(4-hydroxycyclohexyl)-3-(2-thiophen-2-ylphenyl)urea
CID 110891079
(E)-4-oxo-4-(2-thiophen-2-ylanilino)but-2-enoic acid
CID 54868450
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea (CID 110891086) is 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea is O=C(NCCCO)Nc1ccccc1-c1cccs1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea?
The InChIKey is HBGSVJDUUPEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-9-4-8-15-14(18)16-12-6-2-1-5-11(12)13-7-3-10-19-13/h1-3,5-7,10,17H,4,8-9H2,(H2,15,16,18).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea?
1-(3-hydroxypropyl)-3-(2-thiophen-2-ylphenyl)urea has a molecular weight of 276.36 g/mol, XLogP of 2.92, 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-(2-thiophen-2-ylphenyl)urea is sourced from PubChem (CID 110891086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).