2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide

C20H20N4O3S — CID 6892973

IUPAC2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-14-16(7-10-27-14)19(25)23-21-13-17-18(15-5-3-2-4-6-15)22-20(28-17)24-8-11-26-12-9-24/h2-7,10,13H,8-9,11-12H2,1H3,(H,23,25)/b21-13+
InChIKeyKQHPFSNRGOGJKI-FYJGNVAPSA-N
MW396.47 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide (PubChem CID 6892973) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
PubChem CID6892973
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-14-16(7-10-27-14)19(25)23-21-13-17-18(15-5-3-2-4-6-15)22-20(28-17)24-8-11-26-12-9-24/h2-7,10,13H,8-9,11-12H2,1H3,(H,23,25)/b21-13+
InChIKeyKQHPFSNRGOGJKI-FYJGNVAPSA-N
XLogP3.31
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide (CID 6892973) is 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide?
The InChIKey is KQHPFSNRGOGJKI-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-16(7-10-27-14)19(25)23-21-13-17-18(15-5-3-2-4-6-15)22-20(28-17)24-8-11-26-12-9-24/h2-7,10,13H,8-9,11-12H2,1H3,(H,23,25)/b21-13+.
What are the key properties of 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 6892973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).