(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one

C14H15N3OS — CID 725712

IUPAC(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1
InChIInChI=1S/C14H15N3OS/c18-13-12(10-11-4-6-15-7-5-11)19-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2/b12-10-
InChIKeyGNAMRRQHNXPNPG-BENRWUELSA-N
MW273.36 g/mol
LogP2.54
Rot. Bonds1

About (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one

(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 725712) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
PubChem CID725712
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1
InChIInChI=1S/C14H15N3OS/c18-13-12(10-11-4-6-15-7-5-11)19-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2/b12-10-
InChIKeyGNAMRRQHNXPNPG-BENRWUELSA-N
XLogP2.54
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.54
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

Rhodanine, 5-(4-pyridylmethylene)-
CID 1381461
(Z)-2-morpholino-5-(pyridin-3-ylmethylene)thiazol-4(5H)-one
CID 722605
5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione
CID 1398761
3-Benzyl-5-(4-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1940966
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736
3-Methyl-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7161991
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2Z,5Z)-2-[(3-methylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547125
(5Z)-2-(methylthio)-3-phenyl-5-(pyridin-3-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 12005049
(5Z)-3-propyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 134141813
6-propyl-2-[(3-pyridinylmethyl)sulfanyl]-4(3H)-pyrimidinone
CID 135473428
2-Morpholin-4-yl-5-(4-pyridylmethylene)-1,3-thiazolin-4-one
CID 842891

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one (CID 725712) is (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)S/C1=C\c1ccncc1.
What is the InChIKey of (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is GNAMRRQHNXPNPG-BENRWUELSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13-12(10-11-4-6-15-7-5-11)19-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2/b12-10-.
What are the key properties of (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one?
(5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-piperidin-1-yl-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 725712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).