N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C20H19FN4O3S — CID 9151835

IUPACN-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H19FN4O3S/c1-13-18(29-20(23-13)25-8-10-27-11-9-25)19(26)24-22-12-14-6-7-17(28-14)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3,(H,24,26)/b22-12-
InChIKeyLUHOZXKDSKGWRG-UUYOSTAYSA-N
MW414.46 g/mol
LogP3.45
Rot. Bonds5

About N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 9151835) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID9151835
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC NameN-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H19FN4O3S/c1-13-18(29-20(23-13)25-8-10-27-11-9-25)19(26)24-22-12-14-6-7-17(28-14)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3,(H,24,26)/b22-12-
InChIKeyLUHOZXKDSKGWRG-UUYOSTAYSA-N
XLogP3.45
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.45
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 N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 9151835) is N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)N/N=C\c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LUHOZXKDSKGWRG-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-13-18(29-20(23-13)25-8-10-27-11-9-25)19(26)24-22-12-14-6-7-17(28-14)15-4-2-3-5-16(15)21/h2-7,12H,8-11H2,1H3,(H,24,26)/b22-12-.
What are the key properties of N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).