1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea

C10H13ClN2O2S — CID 124749200

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H13ClN2O2S/c1-15-5-4-12-10(16)13-8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,16)
InChIKeyRNDVTJLUURZPHF-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.98
Rot. Bonds4

About 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea

1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 124749200) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
PubChem CID124749200
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H13ClN2O2S/c1-15-5-4-12-10(16)13-8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,16)
InChIKeyRNDVTJLUURZPHF-UHFFFAOYSA-N
XLogP1.98
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
CID 17285016
1-(3,5-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8658308
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135689902
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 8669388
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
1-(5-chloro-2-pyridinyl)-3-(2-methoxyethyl)thiourea
CID 19686299
1-tert-butyl-3-(5-chloro-2-hydroxyphenyl)thiourea
CID 87653917
1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)thiourea
CID 87655959
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea (CID 124749200) is 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is RNDVTJLUURZPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-15-5-4-12-10(16)13-8-6-7(11)2-3-9(8)14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,16).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea?
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 260.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 124749200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).