(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C11H12N2OS2 — CID 1257541

IUPAC(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C/c2ccc(C)s2)C(=O)N1C
InChIInChI=1S/C11H12N2OS2/c1-7-4-5-8(15-7)6-9-10(14)13(3)11(12-2)16-9/h4-6H,1-3H3/b9-6+,12-11-
InChIKeyDDEGVIDZQOCUDP-SUNUYMGGSA-N
MW252.36 g/mol
LogP2.59
Rot. Bonds1

About (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1257541) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1257541
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1\S/C(=C/c2ccc(C)s2)C(=O)N1C
InChIInChI=1S/C11H12N2OS2/c1-7-4-5-8(15-7)6-9-10(14)13(3)11(12-2)16-9/h4-6H,1-3H3/b9-6+,12-11-
InChIKeyDDEGVIDZQOCUDP-SUNUYMGGSA-N
XLogP2.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
(2Z)-2-[(5-methylthiophen-2-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 71699610
3-Methyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolan-4-one
CID 1550686
2-Imino-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1228616
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685
(5Z)-5-[(5-ethylthiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1235622
(2E,5Z)-3-methyl-2-(methylimino)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1254723
(5Z)-2-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2716862

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 1257541) is (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is C/N=C1\S/C(=C/c2ccc(C)s2)C(=O)N1C.
What is the InChIKey of (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DDEGVIDZQOCUDP-SUNUYMGGSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7-4-5-8(15-7)6-9-10(14)13(3)11(12-2)16-9/h4-6H,1-3H3/b9-6+,12-11-.
What are the key properties of (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-methylimino-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1257541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).