1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea

C21H21N3O2S — CID 7933948

IUPAC1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccc2cc(/C(C)=N\NC(=S)Nc3ccccc3OC)ccc2c1
InChIInChI=1S/C21H21N3O2S/c1-14(15-8-9-17-13-18(25-2)11-10-16(17)12-15)23-24-21(27)22-19-6-4-5-7-20(19)26-3/h4-13H,1-3H3,(H2,22,24,27)/b23-14-
InChIKeyHTWSYRUAOIUQBM-UCQKPKSFSA-N
MW379.49 g/mol
LogP4.57
Rot. Bonds5

About 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea

1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea (PubChem CID 7933948) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
PubChem CID7933948
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccc2cc(/C(C)=N\NC(=S)Nc3ccccc3OC)ccc2c1
InChIInChI=1S/C21H21N3O2S/c1-14(15-8-9-17-13-18(25-2)11-10-16(17)12-15)23-24-21(27)22-19-6-4-5-7-20(19)26-3/h4-13H,1-3H3,(H2,22,24,27)/b23-14-
InChIKeyHTWSYRUAOIUQBM-UCQKPKSFSA-N
XLogP4.57
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3441173
1-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
CID 4083793
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
CID 6188253
1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6046280
1-(3-methoxyphenyl)-3-[(E)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 22829855
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
1-[(E)-1-(3-bromophenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 18283865

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea (CID 7933948) is 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea is COc1ccc2cc(/C(C)=N\NC(=S)Nc3ccccc3OC)ccc2c1.
What is the InChIKey of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is HTWSYRUAOIUQBM-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(15-8-9-17-13-18(25-2)11-10-16(17)12-15)23-24-21(27)22-19-6-4-5-7-20(19)26-3/h4-13H,1-3H3,(H2,22,24,27)/b23-14-.
What are the key properties of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 379.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 7933948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).