1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea

C19H17N3O3S — CID 8000990

IUPAC1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C19H17N3O3S/c1-25-15-8-4-7-14(11-15)20-19(26)22-21-18(24)16-9-12-5-2-3-6-13(12)10-17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,26)
InChIKeyONZDYNZJLQODSN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.19
Rot. Bonds3

About 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea (PubChem CID 8000990) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
PubChem CID8000990
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
InChIInChI=1S/C19H17N3O3S/c1-25-15-8-4-7-14(11-15)20-19(26)22-21-18(24)16-9-12-5-2-3-6-13(12)10-17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,26)
InChIKeyONZDYNZJLQODSN-UHFFFAOYSA-N
XLogP3.19
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)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

1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
1-[[2-(2-methoxyanilino)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8617883
1-(2-benzoylphenyl)-3-(3-methoxyphenyl)thiourea
CID 19648798
2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
1-(3-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 155517349
ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobut-2-enoate
CID 3489709

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea (CID 8000990) is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1.
What is the InChIKey of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea?
The InChIKey is ONZDYNZJLQODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-15-8-4-7-14(11-15)20-19(26)22-21-18(24)16-9-12-5-2-3-6-13(12)10-17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,26).
What are the key properties of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea?
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea has a molecular weight of 367.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 8000990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).