(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one

C8H6N2O2S — CID 1243441

IUPAC(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccco2)S1
InChIInChI=1S/C8H6N2O2S/c9-8-10-7(11)6(13-8)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11)/b6-4+
InChIKeyNCXZSLKNRQCDMA-GQCTYLIASA-N
MW194.22 g/mol
LogP1.21
Rot. Bonds1

About (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one

(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 1243441) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID1243441
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccco2)S1
InChIInChI=1S/C8H6N2O2S/c9-8-10-7(11)6(13-8)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11)/b6-4+
InChIKeyNCXZSLKNRQCDMA-GQCTYLIASA-N
XLogP1.21
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.21
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

(5Z)-5-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(5Z)-2-amino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 2278274
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
1-[5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 4315609
(5E)-2-amino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
CID 18526834
(5Z)-2-amino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 27409604
2-amino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2853806
2-amino-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2844140
(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
CID 15210890
2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 2865758
2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2940813
2-amino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 3097374

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one (CID 1243441) is (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one is NC1=NC(=O)/C(=C\c2ccco2)S1.
What is the InChIKey of (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is NCXZSLKNRQCDMA-GQCTYLIASA-N. The full InChI is InChI=1S/C8H6N2O2S/c9-8-10-7(11)6(13-8)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11)/b6-4+.
What are the key properties of (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one?
(5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 194.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-(furan-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 1243441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).