(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C24H30N6O4S — CID 118339626

IUPAC(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1CCC(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(OCc4ccco4)n3)CC2)CC1
InChIInChI=1S/C24H30N6O4S/c1-2-28-7-5-18(6-8-28)29-9-11-30(12-10-29)23-25-17(14-20-22(31)27-24(32)35-20)15-21(26-23)34-16-19-4-3-13-33-19/h3-4,13-15,18H,2,5-12,16H2,1H3,(H,27,31,32)/b20-14-
InChIKeyGNVZZIZRNWULMN-ZHZULCJRSA-N
MW498.61 g/mol
LogP2.58
Rot. Bonds7

About (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118339626) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118339626
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC Name(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN1CCC(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(OCc4ccco4)n3)CC2)CC1
InChIInChI=1S/C24H30N6O4S/c1-2-28-7-5-18(6-8-28)29-9-11-30(12-10-29)23-25-17(14-20-22(31)27-24(32)35-20)15-21(26-23)34-16-19-4-3-13-33-19/h3-4,13-15,18H,2,5-12,16H2,1H3,(H,27,31,32)/b20-14-
InChIKeyGNVZZIZRNWULMN-ZHZULCJRSA-N
XLogP2.58
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118339626) is (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCN1CCC(N2CCN(c3nc(/C=C4\SC(=O)NC4=O)cc(OCc4ccco4)n3)CC2)CC1.
What is the InChIKey of (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GNVZZIZRNWULMN-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-2-28-7-5-18(6-8-28)29-9-11-30(12-10-29)23-25-17(14-20-22(31)27-24(32)35-20)15-21(26-23)34-16-19-4-3-13-33-19/h3-4,13-15,18H,2,5-12,16H2,1H3,(H,27,31,32)/b20-14-.
What are the key properties of (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 498.61 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-6-(furan-2-ylmethoxy)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118339626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).