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

C18H16N2O2S — CID 23765092

IUPAC1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H16N2O2S/c1-22-17-11-3-2-8-15(17)20-18(23)19-14-9-4-7-13-12(14)6-5-10-16(13)21/h2-11,21H,1H3,(H2,19,20,23)
InChIKeyAMRVHCYNRPZXJW-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.36
Rot. Bonds3

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

1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea (PubChem CID 23765092) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
PubChem CID23765092
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)Nc1cccc2c(O)cccc12
InChIInChI=1S/C18H16N2O2S/c1-22-17-11-3-2-8-15(17)20-18(23)19-14-9-4-7-13-12(14)6-5-10-16(13)21/h2-11,21H,1H3,(H2,19,20,23)
InChIKeyAMRVHCYNRPZXJW-UHFFFAOYSA-N
XLogP4.36
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.36
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-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
1-(3,4-dimethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23960305
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
1-(2-cyano-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)thiourea
CID 1481151
1-(2-methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
CID 3001925
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653
1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23762652
1-(5-hydroxynaphthalen-1-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18204601

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea (CID 23765092) is 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea?
The InChIKey is AMRVHCYNRPZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-17-11-3-2-8-15(17)20-18(23)19-14-9-4-7-13-12(14)6-5-10-16(13)21/h2-11,21H,1H3,(H2,19,20,23).
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea?
1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea has a molecular weight of 324.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 23765092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).