N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

C17H14ClN3O2S — CID 8518693

IUPACN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)c(C)o1
InChIInChI=1S/C17H14ClN3O2S/c1-10-7-15(11(2)23-10)16(22)21-19-8-14-9-24-17(20-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,21,22)/b19-8-
InChIKeyXMZIXZCKIURGLF-UWVJOHFNSA-N
MW359.84 g/mol
LogP4.44
Rot. Bonds4

About N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518693) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518693
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)c(C)o1
InChIInChI=1S/C17H14ClN3O2S/c1-10-7-15(11(2)23-10)16(22)21-19-8-14-9-24-17(20-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,21,22)/b19-8-
InChIKeyXMZIXZCKIURGLF-UWVJOHFNSA-N
XLogP4.44
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315889
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 26958679
N-[(Z)-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518628
4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6893767
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 8518693) is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)c(C)o1.
What is the InChIKey of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XMZIXZCKIURGLF-UWVJOHFNSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-10-7-15(11(2)23-10)16(22)21-19-8-14-9-24-17(20-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,21,22)/b19-8-.
What are the key properties of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).