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

C20H29N5S — CID 74221276

IUPAC2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C20H29N5S/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)19-23-14(2)18(26-19)15(3)24-25-20(21)22/h10-13H,4-9H2,1-3H3,(H4,21,22,25)/b24-15+
InChIKeyGZLOJWLNEZULRN-BUVRLJJBSA-N
MW371.55 g/mol
LogP4.63
Rot. Bonds9

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

2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 74221276) has the molecular formula C20H29N5S and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID74221276
Molecular FormulaC20H29N5S
Molecular Weight371.55 g/mol
Exact Mass371.21
IUPAC Name2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C20H29N5S/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)19-23-14(2)18(26-19)15(3)24-25-20(21)22/h10-13H,4-9H2,1-3H3,(H4,21,22,25)/b24-15+
InChIKeyGZLOJWLNEZULRN-BUVRLJJBSA-N
XLogP4.63
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.63
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-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 74221276) is 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is CCCCCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1.
What is the InChIKey of 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is GZLOJWLNEZULRN-BUVRLJJBSA-N. The full InChI is InChI=1S/C20H29N5S/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)19-23-14(2)18(26-19)15(3)24-25-20(21)22/h10-13H,4-9H2,1-3H3,(H4,21,22,25)/b24-15+.
What are the key properties of 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 371.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[2-(4-heptylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 74221276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).