[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea

C19H19N5S2 — CID 162669011

IUPAC[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C19H19N5S2/c1-12-3-5-15(6-4-12)17-11-26-19(22-17)21-16-9-7-14(8-10-16)13(2)23-24-18(20)25/h3-11H,1-2H3,(H,21,22)(H3,20,24,25)/b23-13+
InChIKeyKPSGHMOMAFSYPO-YDZHTSKRSA-N
MW381.53 g/mol
LogP4.42
Rot. Bonds5

About [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea

[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea (PubChem CID 162669011) has the molecular formula C19H19N5S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea
PubChem CID162669011
Molecular FormulaC19H19N5S2
Molecular Weight381.53 g/mol
Exact Mass381.11
IUPAC Name[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C19H19N5S2/c1-12-3-5-15(6-4-12)17-11-26-19(22-17)21-16-9-7-14(8-10-16)13(2)23-24-18(20)25/h3-11H,1-2H3,(H,21,22)(H3,20,24,25)/b23-13+
InChIKeyKPSGHMOMAFSYPO-YDZHTSKRSA-N
XLogP4.42
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]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

N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
2-(2-Cyclohexylidenehydrazinyl)-4-phenylthiazole
CID 8443728
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
2-Hydrazino-4-(4-aminophenyl)thiazole
CID 93098
Guanidinenmethylncyanon32nguanidylthiazol4ylphen
CID 14022519
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
2-(2-Cyclohexylidenehydrazinyl)-4-p-tolylthiazole
CID 50876172
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-phenylthiourea
CID 930568

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea?
The IUPAC name of [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea (CID 162669011) is [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccc(C)cc3)cs2)cc1.
What is the InChIKey of [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea?
The InChIKey is KPSGHMOMAFSYPO-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19N5S2/c1-12-3-5-15(6-4-12)17-11-26-19(22-17)21-16-9-7-14(8-10-16)13(2)23-24-18(20)25/h3-11H,1-2H3,(H,21,22)(H3,20,24,25)/b23-13+.
What are the key properties of [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea?
[(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea has a molecular weight of 381.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]thiourea is sourced from PubChem (CID 162669011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).