1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea

C19H18N2OS — CID 23762652

IUPAC1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
SMILESCCc1ccc(NC(=S)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C19H18N2OS/c1-2-13-9-11-14(12-10-13)20-19(23)21-17-7-3-6-16-15(17)5-4-8-18(16)22/h3-12,22H,2H2,1H3,(H2,20,21,23)
InChIKeyJNIPZLUKPKDHTC-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.92
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea

1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea (PubChem CID 23762652) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
PubChem CID23762652
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
SMILESCCc1ccc(NC(=S)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C19H18N2OS/c1-2-13-9-11-14(12-10-13)20-19(23)21-17-7-3-6-16-15(17)5-4-8-18(16)22/h3-12,22H,2H2,1H3,(H2,20,21,23)
InChIKeyJNIPZLUKPKDHTC-UHFFFAOYSA-N
XLogP4.92
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
CID 127075804
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-(3,4-dimethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23960305
1-[(4-tert-butylphenyl)methyl]-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 56601563
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
1-(3-bromophenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 9234986
2-[(5-hydroxynaphthalen-1-yl)carbamothioylamino]ethyl-dimethylazanium
CID 8617103
1-(5-hydroxynaphthalen-1-yl)-3-(2-methoxyphenyl)thiourea
CID 23765092
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
1-(5-hydroxynaphthalen-1-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18204601
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea (CID 23762652) is 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea is CCc1ccc(NC(=S)Nc2cccc3c(O)cccc23)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
The InChIKey is JNIPZLUKPKDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-13-9-11-14(12-10-13)20-19(23)21-17-7-3-6-16-15(17)5-4-8-18(16)22/h3-12,22H,2H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea?
1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea has a molecular weight of 322.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea is sourced from PubChem (CID 23762652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).