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

C18H17N5S2 — CID 162658463

IUPAC[(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N5S2/c1-12(22-23-17(19)24)13-7-9-15(10-8-13)20-18-21-16(11-25-18)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)(H3,19,23,24)/b22-12+
InChIKeyUOXZOYADMMMXAE-WSDLNYQXSA-N
MW367.50 g/mol
LogP4.11
Rot. Bonds5

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

[(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea (PubChem CID 162658463) has the molecular formula C18H17N5S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea
PubChem CID162658463
Molecular FormulaC18H17N5S2
Molecular Weight367.50 g/mol
Exact Mass367.09
IUPAC Name[(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17N5S2/c1-12(22-23-17(19)24)13-7-9-15(10-8-13)20-18-21-16(11-25-18)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)(H3,19,23,24)/b22-12+
InChIKeyUOXZOYADMMMXAE-WSDLNYQXSA-N
XLogP4.11
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.11
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea?
The IUPAC name of [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea (CID 162658463) is [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea?
The InChIKey is UOXZOYADMMMXAE-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H17N5S2/c1-12(22-23-17(19)24)13-7-9-15(10-8-13)20-18-21-16(11-25-18)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21)(H3,19,23,24)/b22-12+.
What are the key properties of [(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea?
[(E)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea has a molecular weight of 367.50 g/mol, XLogP of 4.11, 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-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethylideneamino]thiourea is sourced from PubChem (CID 162658463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).