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

C15H19N5OS — CID 171396657

IUPAC2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCOc1cccc(-c2nc(C)c(C(C)=NN=C(N)N)s2)c1
InChIInChI=1S/C15H19N5OS/c1-4-21-12-7-5-6-11(8-12)14-18-9(2)13(22-14)10(3)19-20-15(16)17/h5-8H,4H2,1-3H3,(H4,16,17,20)
InChIKeyILFHBPLLIWLNGF-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.51
Rot. Bonds5

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

2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 171396657) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID171396657
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCCOc1cccc(-c2nc(C)c(C(C)=NN=C(N)N)s2)c1
InChIInChI=1S/C15H19N5OS/c1-4-21-12-7-5-6-11(8-12)14-18-9(2)13(22-14)10(3)19-20-15(16)17/h5-8H,4H2,1-3H3,(H4,16,17,20)
InChIKeyILFHBPLLIWLNGF-UHFFFAOYSA-N
XLogP2.51
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 143281441
2-[1-[2-[3-[(2,3-difluorophenyl)methylideneamino]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 169086252
2-[(E)-1-[4-methyl-2-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155556741
N-(diaminomethylidene)-4-methyl-2-[3-(2H-tetrazol-5-ylmethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 146032526
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 140639559
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
2-[(E)-1-[4-methyl-2-[4-[5-(1,3-thiazolidin-3-yl)pentoxy]phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155532618
2-[(E)-1-[2-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butoxy]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155521973
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155549560

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 171396657) is 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is CCOc1cccc(-c2nc(C)c(C(C)=NN=C(N)N)s2)c1.
What is the InChIKey of 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is ILFHBPLLIWLNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-21-12-7-5-6-11(8-12)14-18-9(2)13(22-14)10(3)19-20-15(16)17/h5-8H,4H2,1-3H3,(H4,16,17,20).
What are the key properties of 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 317.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 171396657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).