1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea

C20H23N3S — CID 6523658

IUPAC1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea
SMILESCc1cc(C)c2c(c1)/C(=N\NC(=S)Nc1ccccc1C)CCC2
InChIInChI=1S/C20H23N3S/c1-13-11-15(3)16-8-6-10-19(17(16)12-13)22-23-20(24)21-18-9-5-4-7-14(18)2/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H2,21,23,24)/b22-19-
InChIKeyUHZSCDKUZXBLKC-QOCHGBHMSA-N
MW337.49 g/mol
LogP4.64
Rot. Bonds2

About 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea

1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea (PubChem CID 6523658) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea
PubChem CID6523658
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC Name1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea
SMILESCc1cc(C)c2c(c1)/C(=N\NC(=S)Nc1ccccc1C)CCC2
InChIInChI=1S/C20H23N3S/c1-13-11-15(3)16-8-6-10-19(17(16)12-13)22-23-20(24)21-18-9-5-4-7-14(18)2/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H2,21,23,24)/b22-19-
InChIKeyUHZSCDKUZXBLKC-QOCHGBHMSA-N
XLogP4.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)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-(2-methylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 7933475
1-(2,5-dimethylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 6246151
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,5-dimethylphenyl)thiourea
CID 6076216
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3976015
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930495
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-[(E)-(6-methoxy-2,2-dimethyl-3H-chromen-4-ylidene)amino]-3-(2-methylphenyl)thiourea
CID 46372058
[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-(2-methylphenyl)-3-[(Z)-naphthalen-2-ylmethylideneamino]thiourea
CID 7933456
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea (CID 6523658) is 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea is Cc1cc(C)c2c(c1)/C(=N\NC(=S)Nc1ccccc1C)CCC2.
What is the InChIKey of 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea?
The InChIKey is UHZSCDKUZXBLKC-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N3S/c1-13-11-15(3)16-8-6-10-19(17(16)12-13)22-23-20(24)21-18-9-5-4-7-14(18)2/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H2,21,23,24)/b22-19-.
What are the key properties of 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea?
1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea has a molecular weight of 337.49 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 6523658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).