1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea

C19H18N2O2S — CID 23938189

IUPAC1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H18N2O2S/c1-2-23-18-12-4-3-9-16(18)21-19(24)20-15-10-5-8-14-13(15)7-6-11-17(14)22/h3-12,22H,2H2,1H3,(H2,20,21,24)
InChIKeyQKKDPOVUCDTULC-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.75
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea

1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea (PubChem CID 23938189) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
PubChem CID23938189
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
SMILESCCOc1ccccc1NC(=S)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H18N2O2S/c1-2-23-18-12-4-3-9-16(18)21-19(24)20-15-10-5-8-14-13(15)7-6-11-17(14)22/h3-12,22H,2H2,1H3,(H2,20,21,24)
InChIKeyQKKDPOVUCDTULC-UHFFFAOYSA-N
XLogP4.75
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.75
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-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23762652
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
(Z)-2-cyano-3-(2-ethoxyanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843062
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
4-ethoxy-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitrobenzamide
CID 22775808

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea (CID 23938189) is 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea is CCOc1ccccc1NC(=S)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The InChIKey is QKKDPOVUCDTULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-23-18-12-4-3-9-16(18)21-19(24)20-15-10-5-8-14-13(15)7-6-11-17(14)22/h3-12,22H,2H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea has a molecular weight of 338.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea is sourced from PubChem (CID 23938189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).