1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea

C12H18N2O2S — CID 8615001

IUPAC1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](C)O)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,17)/t9-/m1/s1
InChIKeyPPGNJTXUPQRAIJ-SECBINFHSA-N
MW254.35 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea

1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea (PubChem CID 8615001) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
PubChem CID8615001
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
SMILESCCOc1ccc(NC(=S)NC[C@@H](C)O)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,17)/t9-/m1/s1
InChIKeyPPGNJTXUPQRAIJ-SECBINFHSA-N
XLogP1.75
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.75
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

1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
CID 87125510
CID 87125510
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
2-[(4-ethoxyphenyl)carbamothioylamino]ethyl-dimethylazanium
CID 7470108
1-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8658729
[(1S)-1-(2-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658731

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea (CID 8615001) is 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea is CCOc1ccc(NC(=S)NC[C@@H](C)O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
The InChIKey is PPGNJTXUPQRAIJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9(2)15/h4-7,9,15H,3,8H2,1-2H3,(H2,13,14,17)/t9-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea?
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea has a molecular weight of 254.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxypropyl]thiourea is sourced from PubChem (CID 8615001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).