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

C18H25N5S — CID 74221217

IUPAC2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C18H25N5S/c1-4-5-6-7-14-8-10-15(11-9-14)17-21-12(2)16(24-17)13(3)22-23-18(19)20/h8-11H,4-7H2,1-3H3,(H4,19,20,23)/b22-13+
InChIKeyGCLUFNYOMDOPSK-LPYMAVHISA-N
MW343.50 g/mol
LogP3.85
Rot. Bonds7

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

2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 74221217) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID74221217
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C18H25N5S/c1-4-5-6-7-14-8-10-15(11-9-14)17-21-12(2)16(24-17)13(3)22-23-18(19)20/h8-11H,4-7H2,1-3H3,(H4,19,20,23)/b22-13+
InChIKeyGCLUFNYOMDOPSK-LPYMAVHISA-N
XLogP3.85
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 74221217) is 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is CCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1.
What is the InChIKey of 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is GCLUFNYOMDOPSK-LPYMAVHISA-N. The full InChI is InChI=1S/C18H25N5S/c1-4-5-6-7-14-8-10-15(11-9-14)17-21-12(2)16(24-17)13(3)22-23-18(19)20/h8-11H,4-7H2,1-3H3,(H4,19,20,23)/b22-13+.
What are the key properties of 2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 343.50 g/mol, XLogP of 3.85, 7 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-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 74221217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).