(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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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).