(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide

C21H23FN2O4S — CID 129215810

IUPAC(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide
SMILESC=C(/C=C\C(F)CC)C(=O)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C21H23FN2O4S/c1-3-15(22)7-6-13(2)20(26)24-21-23-17(16-5-4-10-28-16)19(29-21)18(25)14-8-11-27-12-9-14/h4-7,10,14-15H,2-3,8-9,11-12H2,1H3,(H,23,24,26)/b7-6-
InChIKeyMQWYIASXPZLNLD-SREVYHEPSA-N
MW418.49 g/mol
LogP4.81
Rot. Bonds8

About (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide

(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide (PubChem CID 129215810) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide.

Molecular Properties

Compound Name(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide
PubChem CID129215810
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide
SMILESC=C(/C=C\C(F)CC)C(=O)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C21H23FN2O4S/c1-3-15(22)7-6-13(2)20(26)24-21-23-17(16-5-4-10-28-16)19(29-21)18(25)14-8-11-27-12-9-14/h4-7,10,14-15H,2-3,8-9,11-12H2,1H3,(H,23,24,26)/b7-6-
InChIKeyMQWYIASXPZLNLD-SREVYHEPSA-N
XLogP4.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide 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

Mb-07803
CID 24770445
Mb-05032
CID 11289630
A1/A3 AR antagonist 2
CID 162673862
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
(4-(Furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 15950360
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
{5-[2-Amino-5-(2,2-dimethylpropionyl)thiazol-4-yl]-furan-2-yl}phosphonic acid
CID 24770594
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365

Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide?
The IUPAC name of (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide (CID 129215810) is (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide.
What is the SMILES notation for (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide?
The canonical SMILES for (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide is C=C(/C=C\C(F)CC)C(=O)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1.
What is the InChIKey of (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide?
The InChIKey is MQWYIASXPZLNLD-SREVYHEPSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-3-15(22)7-6-13(2)20(26)24-21-23-17(16-5-4-10-28-16)19(29-21)18(25)14-8-11-27-12-9-14/h4-7,10,14-15H,2-3,8-9,11-12H2,1H3,(H,23,24,26)/b7-6-.
What are the key properties of (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide?
(Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide has a molecular weight of 418.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-methylidenehept-3-enamide is sourced from PubChem (CID 129215810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).