1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea

C18H21N3S — CID 6510688

IUPAC1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea
SMILESCc1cccc(NC(=S)N/N=C(\c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H21N3S/c1-13(2)17(15-9-5-4-6-10-15)20-21-18(22)19-16-11-7-8-14(3)12-16/h4-13H,1-3H3,(H2,19,21,22)/b20-17-
InChIKeyGRARRFKKPVGCEF-JZJYNLBNSA-N
MW311.45 g/mol
LogP4.34
Rot. Bonds4

About 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea

1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea (PubChem CID 6510688) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea
PubChem CID6510688
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea
SMILESCc1cccc(NC(=S)N/N=C(\c2ccccc2)C(C)C)c1
InChIInChI=1S/C18H21N3S/c1-13(2)17(15-9-5-4-6-10-15)20-21-18(22)19-16-11-7-8-14(3)12-16/h4-13H,1-3H3,(H2,19,21,22)/b20-17-
InChIKeyGRARRFKKPVGCEF-JZJYNLBNSA-N
XLogP4.34
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.34
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-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]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-anilino-3-(3-methylphenyl)thiourea
CID 8619974
1-[(E)-(2-bromophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 45054455
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(3-methylphenyl)-3-[(E)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5331689
1-(3-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216260
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
1-[(1S)-1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)thiourea
CID 8654393
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
CID 3652809
1-methyl-3-[(3-methylanilino)-phenylmethylidene]thiourea
CID 125466323
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea?
The IUPAC name of 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea (CID 6510688) is 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea is Cc1cccc(NC(=S)N/N=C(\c2ccccc2)C(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea?
The InChIKey is GRARRFKKPVGCEF-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H21N3S/c1-13(2)17(15-9-5-4-6-10-15)20-21-18(22)19-16-11-7-8-14(3)12-16/h4-13H,1-3H3,(H2,19,21,22)/b20-17-.
What are the key properties of 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea?
1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea has a molecular weight of 311.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(Z)-(2-methyl-1-phenylpropylidene)amino]thiourea is sourced from PubChem (CID 6510688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).