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

C16H21N5S — CID 74221216

IUPAC2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C16H21N5S/c1-4-5-12-6-8-13(9-7-12)15-19-10(2)14(22-15)11(3)20-21-16(17)18/h6-9H,4-5H2,1-3H3,(H4,17,18,21)/b20-11+
InChIKeyFBDWSKLZZOCUIZ-RGVLZGJSSA-N
MW315.45 g/mol
LogP3.07
Rot. Bonds5

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

2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 74221216) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID74221216
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1
InChIInChI=1S/C16H21N5S/c1-4-5-12-6-8-13(9-7-12)15-19-10(2)14(22-15)11(3)20-21-16(17)18/h6-9H,4-5H2,1-3H3,(H4,17,18,21)/b20-11+
InChIKeyFBDWSKLZZOCUIZ-RGVLZGJSSA-N
XLogP3.07
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.07
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-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 74221216) is 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is CCCc1ccc(-c2nc(C)c(/C(C)=N/N=C(N)N)s2)cc1.
What is the InChIKey of 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is FBDWSKLZZOCUIZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H21N5S/c1-4-5-12-6-8-13(9-7-12)15-19-10(2)14(22-15)11(3)20-21-16(17)18/h6-9H,4-5H2,1-3H3,(H4,17,18,21)/b20-11+.
What are the key properties of 2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 315.45 g/mol, XLogP of 3.07, 5 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-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 74221216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).