N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide

C20H24N4O2S — CID 9215333

IUPACN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cc(C)oc3C)cc2)S1
InChIInChI=1S/C20H24N4O2S/c1-5-17-11-21-20(27-17)22-16-8-6-15(7-9-16)13(3)23-24-19(25)18-10-12(2)26-14(18)4/h6-10,17H,5,11H2,1-4H3,(H,21,22)(H,24,25)/b23-13-/t17-/m1/s1
InChIKeyNRISSYKUTDLBFS-SUVVMJBMSA-N
MW384.51 g/mol
LogP4.34
Rot. Bonds5

About N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 9215333) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID9215333
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cc(C)oc3C)cc2)S1
InChIInChI=1S/C20H24N4O2S/c1-5-17-11-21-20(27-17)22-16-8-6-15(7-9-16)13(3)23-24-19(25)18-10-12(2)26-14(18)4/h6-10,17H,5,11H2,1-4H3,(H,21,22)(H,24,25)/b23-13-/t17-/m1/s1
InChIKeyNRISSYKUTDLBFS-SUVVMJBMSA-N
XLogP4.34
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 9215333) is N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide is CC[C@@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cc(C)oc3C)cc2)S1.
What is the InChIKey of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NRISSYKUTDLBFS-SUVVMJBMSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-5-17-11-21-20(27-17)22-16-8-6-15(7-9-16)13(3)23-24-19(25)18-10-12(2)26-14(18)4/h6-10,17H,5,11H2,1-4H3,(H,21,22)(H,24,25)/b23-13-/t17-/m1/s1.
What are the key properties of N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 9215333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).