(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

C18H18N4O3S — CID 7975050

IUPAC(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H18N4O3S/c1-11-7-13(3)15(8-12(11)2)16-10-26-18(19-4)21(16)20-9-14-5-6-17(25-14)22(23)24/h5-10H,1-4H3/b19-18-,20-9-
InChIKeyRYGFMKUTFXMJBD-PXHHDCTHSA-N
MW370.43 g/mol
LogP4.06
Rot. Bonds4

About (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine

(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (PubChem CID 7975050) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
PubChem CID7975050
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C\c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H18N4O3S/c1-11-7-13(3)15(8-12(11)2)16-10-26-18(19-4)21(16)20-9-14-5-6-17(25-14)22(23)24/h5-10H,1-4H3/b19-18-,20-9-
InChIKeyRYGFMKUTFXMJBD-PXHHDCTHSA-N
XLogP4.06
TPSA85.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine 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

(Z)-4-(4-bromophenyl)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 7975149
N-methyl-4-naphthalen-1-yl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23824686
N-ethyl-4-(4-methylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23793462
4-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 2436592
3-[(5-nitrofuran-2-yl)methylideneamino]-N,4-diphenyl-1,3-thiazol-2-imine
CID 23908093
4-(1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23740733
4-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23903751
N-(2,5-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 23818633
4-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23850015
4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23790253
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
N-benzyl-3-[(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 23818844

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine (CID 7975050) is (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is C/N=c1\scc(-c2cc(C)c(C)cc2C)n1/N=C\c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
The InChIKey is RYGFMKUTFXMJBD-PXHHDCTHSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-7-13(3)15(8-12(11)2)16-10-26-18(19-4)21(16)20-9-14-5-6-17(25-14)22(23)24/h5-10H,1-4H3/b19-18-,20-9-.
What are the key properties of (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine?
(Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine has a molecular weight of 370.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 7975050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).