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

C17H23N5S — CID 74221278

IUPAC2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H23N5S/c1-10-14(11(2)21-22-16(18)19)23-15(20-10)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H4,18,19,22)/b21-11+
InChIKeyRSOFZSXCWSIXCK-SRZZPIQSSA-N
MW329.47 g/mol
LogP3.41
Rot. Bonds3

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

2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 74221278) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID74221278
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(C(C)(C)C)cc2)nc1C
InChIInChI=1S/C17H23N5S/c1-10-14(11(2)21-22-16(18)19)23-15(20-10)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H4,18,19,22)/b21-11+
InChIKeyRSOFZSXCWSIXCK-SRZZPIQSSA-N
XLogP3.41
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.41
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-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 74221278) is 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1sc(-c2ccc(C(C)(C)C)cc2)nc1C.
What is the InChIKey of 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is RSOFZSXCWSIXCK-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H23N5S/c1-10-14(11(2)21-22-16(18)19)23-15(20-10)12-6-8-13(9-7-12)17(3,4)5/h6-9H,1-5H3,(H4,18,19,22)/b21-11+.
What are the key properties of 2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 329.47 g/mol, XLogP of 3.41, 3 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-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 74221278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).