(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

C15H18N2O2S — CID 21234651

IUPAC(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)o1
InChIInChI=1S/C15H18N2O2S/c1-11-6-7-12(19-11)10-13-14(18)16-15(20-13)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b13-10-
InChIKeyLPUWOSXWBCRYGN-RAXLEYEMSA-N
MW290.39 g/mol
LogP3.43
Rot. Bonds1

About (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 21234651) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID21234651
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)o1
InChIInChI=1S/C15H18N2O2S/c1-11-6-7-12(19-11)10-13-14(18)16-15(20-13)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b13-10-
InChIKeyLPUWOSXWBCRYGN-RAXLEYEMSA-N
XLogP3.43
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one 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

(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 51902396
(5Z)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 51372327
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 936576
(5Z)-5-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 9247657
5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 4556179
(5Z)-2-(4-benzylpiperazin-1-yl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 19131402
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 8815074
(5Z)-2-(azepan-1-yl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 676196
(5Z)-5-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one
CID 2027541
2-piperidin-1-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4006570
(5Z)-5-[[3-[(Z)-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 30230258

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 21234651) is (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)o1.
What is the InChIKey of (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is LPUWOSXWBCRYGN-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-7-12(19-11)10-13-14(18)16-15(20-13)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3/b13-10-.
What are the key properties of (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 290.39 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(azepan-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 21234651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).