1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea

C19H23N3S — CID 6131885

IUPAC1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
SMILESCCCC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c1-3-4-10-18(16-8-6-5-7-9-16)21-22-19(23)20-17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3,(H2,20,22,23)/b21-18-
InChIKeyPWHFYYNKBHRYSR-UZYVYHOESA-N
MW325.48 g/mol
LogP4.88
Rot. Bonds6

About 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea

1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea (PubChem CID 6131885) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
PubChem CID6131885
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
SMILESCCCC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c1-3-4-10-18(16-8-6-5-7-9-16)21-22-19(23)20-17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3,(H2,20,22,23)/b21-18-
InChIKeyPWHFYYNKBHRYSR-UZYVYHOESA-N
XLogP4.88
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.88
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-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]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-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
CID 6391805
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
1-butyl-3-[(Z)-1-phenylbutylideneamino]thiourea
CID 7612825
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea
CID 904468
1-[(Z)-1-(3-bromophenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6047430
1-(4-methylphenyl)-3-(2-phenylethylideneamino)thiourea
CID 4922452
N-(1-phenylpentylideneamino)octanamide
CID 4676930

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea (CID 6131885) is 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea is CCCC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea?
The InChIKey is PWHFYYNKBHRYSR-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N3S/c1-3-4-10-18(16-8-6-5-7-9-16)21-22-19(23)20-17-13-11-15(2)12-14-17/h5-9,11-14H,3-4,10H2,1-2H3,(H2,20,22,23)/b21-18-.
What are the key properties of 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea?
1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea has a molecular weight of 325.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea is sourced from PubChem (CID 6131885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).