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

C15H16N4O5S2 — CID 160718981

IUPAC2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILESNC1=NC(=O)CS1.[H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S1
InChIInChI=1S/C12H12N2O4S.C3H4N2OS/c1-17-7-3-6(4-8(18-2)10(7)15)5-9-11(16)14-12(13)19-9;4-3-5-2(6)1-7-3/h3-5,15H,1-2H3,(H2,13,14,16);1H2,(H2,4,5,6)/b9-5-;
InChIKeyRSVRVTMLENXDTC-UYTGOYFPSA-N
MW396.45 g/mol
LogP1.12
Rot. Bonds3

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

2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 160718981) has the molecular formula C15H16N4O5S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID160718981
Molecular FormulaC15H16N4O5S2
Molecular Weight396.45 g/mol
Exact Mass396.06
IUPAC Name2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILESNC1=NC(=O)CS1.[H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S1
InChIInChI=1S/C12H12N2O4S.C3H4N2OS/c1-17-7-3-6(4-8(18-2)10(7)15)5-9-11(16)14-12(13)19-9;4-3-5-2(6)1-7-3/h3-5,15H,1-2H3,(H2,13,14,16);1H2,(H2,4,5,6)/b9-5-;
InChIKeyRSVRVTMLENXDTC-UYTGOYFPSA-N
XLogP1.12
TPSA147.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 140632499
(5E)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777238
(5E)-2-imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 138376602
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128980
(5Z)-2-imino-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 154777687
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
(5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 156601276
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
(5Z)-2-imino-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 154777666
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
N-(4-hydroxyphenyl)-2-[4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 138388018
2-imino-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128443

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 160718981) is 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is NC1=NC(=O)CS1.[H]/N=C1\NC(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S1.
What is the InChIKey of 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is RSVRVTMLENXDTC-UYTGOYFPSA-N. The full InChI is InChI=1S/C12H12N2O4S.C3H4N2OS/c1-17-7-3-6(4-8(18-2)10(7)15)5-9-11(16)14-12(13)19-9;4-3-5-2(6)1-7-3/h3-5,15H,1-2H3,(H2,13,14,16);1H2,(H2,4,5,6)/b9-5-;.
What are the key properties of 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 396.45 g/mol, XLogP of 1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazol-4-one;(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 160718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).