(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one

C14H16N2O2S — CID 19176660

IUPAC(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCCCOc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-3-8-18-11-6-4-10(5-7-11)9-12-13(17)16-14(15)19-12/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17)/b12-9-
InChIKeyVUYJZRXMVJQMLX-XFXZXTDPSA-N
MW276.36 g/mol
LogP2.79
Rot. Bonds5

About (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 19176660) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID19176660
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCCCOc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-3-8-18-11-6-4-10(5-7-11)9-12-13(17)16-14(15)19-12/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17)/b12-9-
InChIKeyVUYJZRXMVJQMLX-XFXZXTDPSA-N
XLogP2.79
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-2-amino-5-[(4-butoxyphenyl)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-amino-5-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2277937
(5E)-2-amino-5-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2277846
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
2-amino-5-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2897088
acetic acid;(5E)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 52997289
(5E)-5-[(4-heptoxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 17045284
4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzaldehyde
CID 1201096
(5Z)-2-amino-5-[[3-[3-[4-[(2S)-butan-2-yl]phenoxy]propoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 30851665
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-propoxyphenyl)-1,3-thiazol-4-one
CID 70681522
2-amino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 2885436
2-amino-5-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2895130
(5Z)-2-amino-5-[[3-chloro-5-ethoxy-4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 30851675

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 19176660) is (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one is CCCCOc1ccc(/C=C2\SC(N)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is VUYJZRXMVJQMLX-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-3-8-18-11-6-4-10(5-7-11)9-12-13(17)16-14(15)19-12/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17)/b12-9-.
What are the key properties of (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 276.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(4-butoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 19176660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).