1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea

C19H23N3S — CID 7930509

IUPAC1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
SMILESCc1cc(C)c(/C=N\NC(=S)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C19H23N3S/c1-12-9-15(4)17(16(5)10-12)11-20-22-19(23)21-18-13(2)7-6-8-14(18)3/h6-11H,1-5H3,(H2,21,22,23)/b20-11-
InChIKeyBXTZNRBDJOUTJA-JAIQZWGSSA-N
MW325.48 g/mol
LogP4.55
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea

1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea (PubChem CID 7930509) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
PubChem CID7930509
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
SMILESCc1cc(C)c(/C=N\NC(=S)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C19H23N3S/c1-12-9-15(4)17(16(5)10-12)11-20-22-19(23)21-18-13(2)7-6-8-14(18)3/h6-11H,1-5H3,(H2,21,22,23)/b20-11-
InChIKeyBXTZNRBDJOUTJA-JAIQZWGSSA-N
XLogP4.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.55
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-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]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-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135745561
1-(2,4-dimethylphenyl)-3-[(3-hydroxyphenyl)methylideneamino]thiourea
CID 85063930
1-(anthracen-9-ylmethylideneamino)-3-(2,4-dimethylphenyl)thiourea
CID 4561308
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
2-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-4-nitrophenolate
CID 7930371
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]thiourea
CID 135745552
1-(2,6-dimethylphenyl)-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 7930417
1-[(E)-[(Z)-2,4-dimethylpent-2-enylidene]amino]-3-(2,6-dimethylphenyl)thiourea
CID 135138920
1-(2,6-dimethylphenyl)-3-[(E)-[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 46372204
1-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]-3-(2,4,6-trimethylphenyl)thiourea
CID 6261679
1-(2,6-dimethylphenyl)-3-[(Z)-[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylideneamino]thiourea
CID 6004366

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea (CID 7930509) is 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea is Cc1cc(C)c(/C=N\NC(=S)Nc2c(C)cccc2C)c(C)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea?
The InChIKey is BXTZNRBDJOUTJA-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H23N3S/c1-12-9-15(4)17(16(5)10-12)11-20-22-19(23)21-18-13(2)7-6-8-14(18)3/h6-11H,1-5H3,(H2,21,22,23)/b20-11-.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea?
1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea has a molecular weight of 325.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7930509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).