1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea

C18H15N3O2S — CID 21234008

IUPAC1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea
SMILESO=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C18H15N3O2S/c22-16-11-4-3-9-14(16)17(23)20-21-18(24)19-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,20,23)(H2,19,21,24)
InChIKeyLCZYFYJSNIKQDG-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.18
Rot. Bonds2

About 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea

1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea (PubChem CID 21234008) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea
PubChem CID21234008
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea
SMILESO=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C18H15N3O2S/c22-16-11-4-3-9-14(16)17(23)20-21-18(24)19-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,20,23)(H2,19,21,24)
InChIKeyLCZYFYJSNIKQDG-UHFFFAOYSA-N
XLogP3.18
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-2-Naphthylsalicylamide
CID 219325
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
1-[(1-Hydroxy-2-naphthoyl)amino]-3-(m-tolyl)urea
CID 24818767
1-(4-Ethylphenyl)-3-[(1-hydroxy-2-naphthoyl)amino]urea
CID 24819049
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355
N-(4-fluorophenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 681196
1-[(2,4-Dihydroxybenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 970389
N-(2,4-dimethylphenyl)-2-(2-hydroxybenzoyl)hydrazinecarbothioamide
CID 1252003
1-[(2-Hydroxybenzoyl)amino]-3-(4-methylphenyl)thiourea
CID 7785988
1-(2-Fluorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 24424333
N-(2,5-dimethylphenyl)-2-[(3-hydroxynaphthalen-2-yl)carbonyl]hydrazinecarboxamide
CID 24818643
N-(2-fluorophenyl)-2-[(3-hydroxynaphthalen-2-yl)carbonyl]hydrazinecarboxamide
CID 24818777

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea (CID 21234008) is 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea is O=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea?
The InChIKey is LCZYFYJSNIKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16-11-4-3-9-14(16)17(23)20-21-18(24)19-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,20,23)(H2,19,21,24).
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea?
1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea has a molecular weight of 337.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxybenzoyl)amino]-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 21234008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).