(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one

C19H21N3O2S — CID 659003

IUPAC(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-2-10-22-14-9-5-4-8-13(14)15(18(22)24)16-17(23)20-19(25-16)21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b16-15-
InChIKeyDTDNKSASNDLSDJ-NXVVXOECSA-N
MW355.46 g/mol
LogP3.27
Rot. Bonds2

About (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one

(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 659003) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID659003
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-2-10-22-14-9-5-4-8-13(14)15(18(22)24)16-17(23)20-19(25-16)21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b16-15-
InChIKeyDTDNKSASNDLSDJ-NXVVXOECSA-N
XLogP3.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(Z)-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
3-Methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4129028
2-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 989841
1-Benzyl-3-(2-morpholin-4-yl-4-oxo-4H-thiazol-5-ylidene)-1,3-dihydro-indol-2-one
CID 1905646
(5Z)-5-(1-ethyl-2-oxoindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1960010
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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one (CID 659003) is (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one is CCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is DTDNKSASNDLSDJ-NXVVXOECSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-10-22-14-9-5-4-8-13(14)15(18(22)24)16-17(23)20-19(25-16)21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b16-15-.
What are the key properties of (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 355.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 659003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).