1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea

C20H19N3S — CID 789157

IUPAC1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)Nc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3S/c1-14-7-11-19(12-8-14)21-20(24)23-22-15(2)17-10-9-16-5-3-4-6-18(16)13-17/h3-13H,1-2H3,(H2,21,23,24)
InChIKeyBNOMZDNVDHPBRJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea

1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea (PubChem CID 789157) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
PubChem CID789157
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)Nc1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3S/c1-14-7-11-19(12-8-14)21-20(24)23-22-15(2)17-10-9-16-5-3-4-6-18(16)13-17/h3-13H,1-2H3,(H2,21,23,24)
InChIKeyBNOMZDNVDHPBRJ-UHFFFAOYSA-N
XLogP4.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'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-[(Z)-1-(3-bromophenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6047430
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
1-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylideneamino]thiourea
CID 789048
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea
CID 904468
1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-phenylthiourea
CID 6941507
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
1-[(E)-1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-(4-methylphenyl)urea
CID 177439250
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
1-[1-(4-tert-butylphenyl)ethylideneamino]-3-phenylthiourea
CID 4547560
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 7933948
1-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6132692

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea (CID 789157) is 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea is CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The InChIKey is BNOMZDNVDHPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-14-7-11-19(12-8-14)21-20(24)23-22-15(2)17-10-9-16-5-3-4-6-18(16)13-17/h3-13H,1-2H3,(H2,21,23,24).
What are the key properties of 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea?
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea has a molecular weight of 333.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea is sourced from PubChem (CID 789157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).