N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C18H19N3O4S — CID 91171756

IUPACN-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(=O)NCCN.O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S.C4H10N2O/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;1-4(7)6-3-2-5/h1-8H,(H,15,16,17);2-3,5H2,1H3,(H,6,7)/b12-8-;
InChIKeyQQFHBFFKNFEBEB-JCTPKUEWSA-N
MW373.43 g/mol
LogP2.35
Rot. Bonds4

About N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 91171756) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound NameN-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID91171756
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(=O)NCCN.O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S.C4H10N2O/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;1-4(7)6-3-2-5/h1-8H,(H,15,16,17);2-3,5H2,1H3,(H,6,7)/b12-8-;
InChIKeyQQFHBFFKNFEBEB-JCTPKUEWSA-N
XLogP2.35
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
N-[3-[5-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]phenyl]acetamide
CID 87985619
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2844127
N-[3-[4-oxo-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propyl]acetamide
CID 91141155
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
ethyl 4-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 6283210
5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(5Z)-5-[[5-(3-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142277476
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione;yttrium
CID 59987928
4-[2-[[3-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoyl]amino]ethylsulfanyl]pyridine-2,6-dicarboxylic acid
CID 91086832
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 91171756) is N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is CC(=O)NCCN.O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1.
What is the InChIKey of N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QQFHBFFKNFEBEB-JCTPKUEWSA-N. The full InChI is InChI=1S/C14H9NO3S.C4H10N2O/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9;1-4(7)6-3-2-5/h1-8H,(H,15,16,17);2-3,5H2,1H3,(H,6,7)/b12-8-;.
What are the key properties of N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 373.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)acetamide;(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 91171756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).