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

C16H17N7S — CID 155549560

IUPAC2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(-n3ccnc3)cc2)nc1C
InChIInChI=1S/C16H17N7S/c1-10-14(11(2)21-22-16(17)18)24-15(20-10)12-3-5-13(6-4-12)23-8-7-19-9-23/h3-9H,1-2H3,(H4,17,18,22)/b21-11+
InChIKeyUAGRRJRBSCUIMV-SRZZPIQSSA-N
MW339.43 g/mol
LogP2.30
Rot. Bonds4

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

2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 155549560) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID155549560
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1sc(-c2ccc(-n3ccnc3)cc2)nc1C
InChIInChI=1S/C16H17N7S/c1-10-14(11(2)21-22-16(17)18)24-15(20-10)12-3-5-13(6-4-12)23-8-7-19-9-23/h3-9H,1-2H3,(H4,17,18,22)/b21-11+
InChIKeyUAGRRJRBSCUIMV-SRZZPIQSSA-N
XLogP2.30
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 140639559
2-[(E)-1-[4-methyl-2-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155556741
2-[(E)-1-[4-methyl-2-[4-[5-(1,3-thiazolidin-3-yl)pentoxy]phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155532618
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
CID 72730801
N-(4-imidazol-1-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31410008
2-[1-[2-[3-[(2,3-difluorophenyl)methylideneamino]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 169086252
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
5-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide
CID 76562322
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 155549560) is 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1sc(-c2ccc(-n3ccnc3)cc2)nc1C.
What is the InChIKey of 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is UAGRRJRBSCUIMV-SRZZPIQSSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10-14(11(2)21-22-16(17)18)24-15(20-10)12-3-5-13(6-4-12)23-8-7-19-9-23/h3-9H,1-2H3,(H4,17,18,22)/b21-11+.
What are the key properties of 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 339.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 155549560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).