1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H24N4O3S — CID 2173958

IUPAC1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCCCCN1C(=O)/C(=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-2-3-10-25-15-7-5-4-6-14(15)16(20(25)28)17-19(27)23-21(29-17)24-11-8-13(9-12-24)18(22)26/h4-7,13H,2-3,8-12H2,1H3,(H2,22,26)/b17-16-
InChIKeyFXAMWJMZSPQGJO-MSUUIHNZSA-N
MW412.52 g/mol
LogP2.37
Rot. Bonds4

About 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 2173958) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID2173958
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCCCCN1C(=O)/C(=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-2-3-10-25-15-7-5-4-6-14(15)16(20(25)28)17-19(27)23-21(29-17)24-11-8-13(9-12-24)18(22)26/h4-7,13H,2-3,8-12H2,1H3,(H2,22,26)/b17-16-
InChIKeyFXAMWJMZSPQGJO-MSUUIHNZSA-N
XLogP2.37
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2Z)-2-(1-Butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 6519189
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
7-(5,7-Dimethyl-2-oxoindolin-3-ylidene)-3-phenyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1890295
(3Z)-3-[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 659003
1-Benzyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 1905646
6-(4-methylbenzyl)-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 2200063
1-Butyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 2274794
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3236153
2-[3-(2,3-dihydro-1H-indol-1-ylcarbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 3237897
(3Z)-1-ethyl-3-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5(4H)-ylidene)-1,3-dihydro-2H-indol-2-one
CID 3241647
3-ethyl-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4094092
6-amino-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-5-phenyl-4(3H)-pyrimidinone
CID 135414687

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 2173958) is 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide is CCCCN1C(=O)/C(=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c2ccccc21.
What is the InChIKey of 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is FXAMWJMZSPQGJO-MSUUIHNZSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-3-10-25-15-7-5-4-6-14(15)16(20(25)28)17-19(27)23-21(29-17)24-11-8-13(9-12-24)18(22)26/h4-7,13H,2-3,8-12H2,1H3,(H2,22,26)/b17-16-.
What are the key properties of 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2173958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).