3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide

C23H22BrN3OS — CID 73242685

IUPAC3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide
SMILESBr.O=C1Nc2ccccc2C1=Cc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3OS.BrH/c27-22-18(17-11-5-6-12-19(17)24-22)15-20-21(16-9-3-1-4-10-16)25-23(28-20)26-13-7-2-8-14-26;/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,24,27);1H
InChIKeyVVZUCHGCGXVUCT-UHFFFAOYSA-N
MW468.42 g/mol
LogP5.87
Rot. Bonds3

About 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide

3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide (PubChem CID 73242685) has the molecular formula C23H22BrN3OS and a molecular weight of 468.42 g/mol. Its IUPAC name is 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide.

Molecular Properties

Compound Name3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide
PubChem CID73242685
Molecular FormulaC23H22BrN3OS
Molecular Weight468.42 g/mol
Exact Mass467.07
IUPAC Name3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide
SMILESBr.O=C1Nc2ccccc2C1=Cc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C23H21N3OS.BrH/c27-22-18(17-11-5-6-12-19(17)24-22)15-20-21(16-9-3-1-4-10-16)25-23(28-20)26-13-7-2-8-14-26;/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,24,27);1H
InChIKeyVVZUCHGCGXVUCT-UHFFFAOYSA-N
XLogP5.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.42
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide with MolForge

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Related Compounds

(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
(3E)-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155816046
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 6270282
(Z)-3-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
CID 75363202
(3Z)-3-[(5-nitrothiophen-2-yl)methylidene]-1H-indol-2-one
CID 74982383
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 115562425
ethyl 3-oxo-2-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-4H-1,4-benzothiazine-2-carboxylate
CID 4849871
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide?
The IUPAC name of 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide (CID 73242685) is 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide.
What is the SMILES notation for 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide?
The canonical SMILES for 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide is Br.O=C1Nc2ccccc2C1=Cc1sc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide?
The InChIKey is VVZUCHGCGXVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS.BrH/c27-22-18(17-11-5-6-12-19(17)24-22)15-20-21(16-9-3-1-4-10-16)25-23(28-20)26-13-7-2-8-14-26;/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,24,27);1H.
What are the key properties of 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide?
3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide has a molecular weight of 468.42 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one;hydrobromide is sourced from PubChem (CID 73242685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).