ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate

C16H18N2O4S2 — CID 2476448

IUPACethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2cccs2)c(=O)n1CC(=O)N(C)C
InChIInChI=1S/C16H18N2O4S2/c1-4-22-15(20)9-14-18(10-13(19)17(2)3)16(21)12(24-14)8-11-6-5-7-23-11/h5-9H,4,10H2,1-3H3/b12-8+,14-9-
InChIKeyGYOQOHRSCIJVAW-DRIRWXSCSA-N
MW366.46 g/mol
LogP0.23
Rot. Bonds5

About ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 2476448) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
PubChem CID2476448
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Nameethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=c1\s/c(=C/c2cccs2)c(=O)n1CC(=O)N(C)C
InChIInChI=1S/C16H18N2O4S2/c1-4-22-15(20)9-14-18(10-13(19)17(2)3)16(21)12(24-14)8-11-6-5-7-23-11/h5-9H,4,10H2,1-3H3/b12-8+,14-9-
InChIKeyGYOQOHRSCIJVAW-DRIRWXSCSA-N
XLogP0.23
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate (CID 2476448) is ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C/c2cccs2)c(=O)n1CC(=O)N(C)C.
What is the InChIKey of ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is GYOQOHRSCIJVAW-DRIRWXSCSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-4-22-15(20)9-14-18(10-13(19)17(2)3)16(21)12(24-14)8-11-6-5-7-23-11/h5-9H,4,10H2,1-3H3/b12-8+,14-9-.
What are the key properties of ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 366.46 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 2476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).