2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine

C19H19N5S — CID 74221281

IUPAC2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C19H19N5S/c1-12-17(13(2)23-24-19(20)21)25-18(22-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H4,20,21,24)/b23-13+
InChIKeyKVKQMBZAUJUEIM-YDZHTSKRSA-N
MW349.46 g/mol
LogP3.78
Rot. Bonds4

About 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine

2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 74221281) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID74221281
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C19H19N5S/c1-12-17(13(2)23-24-19(20)21)25-18(22-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H4,20,21,24)/b23-13+
InChIKeyKVKQMBZAUJUEIM-YDZHTSKRSA-N
XLogP3.78
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 74221281) is 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1sc(-c2ccc(-c3ccccc3)cc2)nc1C.
What is the InChIKey of 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is KVKQMBZAUJUEIM-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19N5S/c1-12-17(13(2)23-24-19(20)21)25-18(22-12)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,1-2H3,(H4,20,21,24)/b23-13+.
What are the key properties of 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 349.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 74221281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).