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

C18H24N6S — CID 155543590

IUPAC2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(N3CCCCC3)cc2)nc1C
InChIInChI=1S/C18H24N6S/c1-12-16(13(2)22-23-18(19)20)25-17(21-12)14-6-8-15(9-7-14)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H4,19,20,23)/b22-13+
InChIKeyXJJSOTZPTFNTDN-LPYMAVHISA-N
MW356.50 g/mol
LogP3.11
Rot. Bonds4

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

2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 155543590) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID155543590
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(N3CCCCC3)cc2)nc1C
InChIInChI=1S/C18H24N6S/c1-12-16(13(2)22-23-18(19)20)25-17(21-12)14-6-8-15(9-7-14)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H4,19,20,23)/b22-13+
InChIKeyXJJSOTZPTFNTDN-LPYMAVHISA-N
XLogP3.11
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', '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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Related Compounds

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CID 5378081
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1-Phenyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine
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2-[(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 53258073
2-[(E)-1-[2-(4-cyclohexylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221280
2-[(E)-1-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221281
2-[(E)-1-[2-(4-hex-1-ynylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 90108106
Antibacterial agent 106
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 155543590) is 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1sc(-c2ccc(N3CCCCC3)cc2)nc1C.
What is the InChIKey of 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is XJJSOTZPTFNTDN-LPYMAVHISA-N. The full InChI is InChI=1S/C18H24N6S/c1-12-16(13(2)22-23-18(19)20)25-17(21-12)14-6-8-15(9-7-14)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H4,19,20,23)/b22-13+.
What are the key properties of 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 356.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-methyl-2-(4-piperidin-1-ylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 155543590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).