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

C18H21N3OS — CID 6188253

IUPAC1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N/N=C(/C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21N3OS/c1-12(2)11-19-18(23)21-20-13(3)14-5-6-16-10-17(22-4)8-7-15(16)9-14/h5-10H,1,11H2,2-4H3,(H2,19,21,23)/b20-13-
InChIKeyQWNYLOZQJGOWLB-MOSHPQCFSA-N
MW327.45 g/mol
LogP3.61
Rot. Bonds5

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

1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea (PubChem CID 6188253) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
PubChem CID6188253
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)N/N=C(/C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21N3OS/c1-12(2)11-19-18(23)21-20-13(3)14-5-6-16-10-17(22-4)8-7-15(16)9-14/h5-10H,1,11H2,2-4H3,(H2,19,21,23)/b20-13-
InChIKeyQWNYLOZQJGOWLB-MOSHPQCFSA-N
XLogP3.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 7933948
1-[(4-methoxyphenyl)methyl]-3-(2-methylprop-2-enyl)thiourea
CID 3452580
1-benzyl-3-[(Z)-1-(3-methoxyphenyl)ethylideneamino]thiourea
CID 7933855
1-[1-(5-methylfuran-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea
CID 3473195
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
1-[(4-methoxyphenyl)methyl]-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]thiourea
CID 9176269
N-[3-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 9176380
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea (CID 6188253) is 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)N/N=C(/C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is QWNYLOZQJGOWLB-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12(2)11-19-18(23)21-20-13(3)14-5-6-16-10-17(22-4)8-7-15(16)9-14/h5-10H,1,11H2,2-4H3,(H2,19,21,23)/b20-13-.
What are the key properties of 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea?
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 327.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 6188253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).