N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C11H10N2O2S2 — CID 1227506

IUPACN-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2sccc2C)S1
InChIInChI=1S/C11H10N2O2S2/c1-6-3-4-16-8(6)5-9-10(15)13-11(17-9)12-7(2)14/h3-5H,1-2H3,(H,12,13,14,15)/b9-5-
InChIKeyJPFVCPXVIMKIBN-UITAMQMPSA-N
MW266.35 g/mol
LogP2.16
Rot. Bonds1

About N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 1227506) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID1227506
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC NameN-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2sccc2C)S1
InChIInChI=1S/C11H10N2O2S2/c1-6-3-4-16-8(6)5-9-10(15)13-11(17-9)12-7(2)14/h3-5H,1-2H3,(H,12,13,14,15)/b9-5-
InChIKeyJPFVCPXVIMKIBN-UITAMQMPSA-N
XLogP2.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.16
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
2-Imino-5-(2-thienylmethylene)-1,3-thiazolidin-4-one
CID 1205039
2-Imino-5-thiophen-2-ylmethylene-thiazolidin-4-one
CID 1205038
2-Imino-5-[(5-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1228616
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 146674278
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685
(2E,5Z)-3-methyl-2-(methylimino)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1254723

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 1227506) is N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/c2sccc2C)S1.
What is the InChIKey of N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is JPFVCPXVIMKIBN-UITAMQMPSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-6-3-4-16-8(6)5-9-10(15)13-11(17-9)12-7(2)14/h3-5H,1-2H3,(H,12,13,14,15)/b9-5-.
What are the key properties of N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).