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

C12H12N2O3S — CID 1350142

IUPAC(5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1cc(/C=C2\SC(N)=NC2=O)cc(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-8-3-7(4-9(6-8)17-2)5-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-5-
InChIKeyPTRJKBPNFGCUAW-YHYXMXQVSA-N
MW264.31 g/mol
LogP1.63
Rot. Bonds3

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

(5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 1350142) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID1350142
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1cc(/C=C2\SC(N)=NC2=O)cc(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-8-3-7(4-9(6-8)17-2)5-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-5-
InChIKeyPTRJKBPNFGCUAW-YHYXMXQVSA-N
XLogP1.63
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25023762
2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
(5Z)-3-methyl-2-methylimino-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2379271
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2654664
Cvf-csc-47
CID 47099517
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7759157
2-Imino-5-(2-propoxy-benzylidene)-thiazolidin-4-one
CID 5767555
(5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 1206249
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804065
UT-A1 inhibitor B3
CID 1366824
2-Amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 4589745
(5Z)-2-(dimethylamino)-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-one
CID 49775384

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 1350142) is (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1cc(/C=C2\SC(N)=NC2=O)cc(OC)c1.
What is the InChIKey of (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is PTRJKBPNFGCUAW-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-8-3-7(4-9(6-8)17-2)5-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-5-.
What are the key properties of (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1350142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).