1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide

C25H28N4O2S2 — CID 23473838

IUPAC1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C25H28N4O2S2/c1-15-5-4-6-17-13-18(14-20-24(31)29(25(32)33-20)19-7-2-3-8-19)23(27-21(15)17)28-11-9-16(10-12-28)22(26)30/h4-6,13-14,16,19H,2-3,7-12H2,1H3,(H2,26,30)/b20-14-
InChIKeyYEWAQASRYKJITN-ZHZULCJRSA-N
MW480.66 g/mol
LogP4.39
Rot. Bonds4

About 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide

1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide (PubChem CID 23473838) has the molecular formula C25H28N4O2S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide
PubChem CID23473838
Molecular FormulaC25H28N4O2S2
Molecular Weight480.66 g/mol
Exact Mass480.17
IUPAC Name1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C25H28N4O2S2/c1-15-5-4-6-17-13-18(14-20-24(31)29(25(32)33-20)19-7-2-3-8-19)23(27-21(15)17)28-11-9-16(10-12-28)22(26)30/h4-6,13-14,16,19H,2-3,7-12H2,1H3,(H2,26,30)/b20-14-
InChIKeyYEWAQASRYKJITN-ZHZULCJRSA-N
XLogP4.39
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[8-methyl-3-[(Z)-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide
CID 23473833
ethyl 1-[3-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxylate
CID 23473710
ethyl 1-[3-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxylate
CID 23473716
1-[3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
CID 3341037
ethyl 1-[8-methyl-3-[(Z)-[4-oxo-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxylate
CID 23473723
(5Z)-3-[(4-methylphenyl)methyl]-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473514
(5Z)-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473520
(5Z)-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473515
(5Z)-3-(3-ethoxypropyl)-5-[(8-methyl-2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473510
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[8-methyl-2-(4-methylpiperidin-1-yl)quinolin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23473643
1-[3-[(Z)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]quinolin-2-yl]piperidine-4-carboxamide
CID 23473822
ethyl 1-[3-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxylate
CID 3767537

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide (CID 23473838) is 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide is Cc1cccc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is YEWAQASRYKJITN-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H28N4O2S2/c1-15-5-4-6-17-13-18(14-20-24(31)29(25(32)33-20)19-7-2-3-8-19)23(27-21(15)17)28-11-9-16(10-12-28)22(26)30/h4-6,13-14,16,19H,2-3,7-12H2,1H3,(H2,26,30)/b20-14-.
What are the key properties of 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide?
1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-8-methylquinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 23473838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).