2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide

C24H21N5O3S — CID 24686799

IUPAC2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1csc(N2CCOCC2)n1
InChIInChI=1S/C24H21N5O3S/c30-22(27-28-23(31)21-15-33-24(26-21)29-10-12-32-13-11-29)18-14-20(16-6-2-1-3-7-16)25-19-9-5-4-8-17(18)19/h1-9,14-15H,10-13H2,(H,27,30)(H,28,31)
InChIKeyPVWDPIUMAVZTHQ-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.27
Rot. Bonds4

About 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 24686799) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID24686799
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1csc(N2CCOCC2)n1
InChIInChI=1S/C24H21N5O3S/c30-22(27-28-23(31)21-15-33-24(26-21)29-10-12-32-13-11-29)18-14-20(16-6-2-1-3-7-16)25-19-9-5-4-8-17(18)19/h1-9,14-15H,10-13H2,(H,27,30)(H,28,31)
InChIKeyPVWDPIUMAVZTHQ-UHFFFAOYSA-N
XLogP3.27
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 24686799) is 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is PVWDPIUMAVZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-22(27-28-23(31)21-15-33-24(26-21)29-10-12-32-13-11-29)18-14-20(16-6-2-1-3-7-16)25-19-9-5-4-8-17(18)19/h1-9,14-15H,10-13H2,(H,27,30)(H,28,31).
What are the key properties of 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 459.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(2-phenylquinoline-4-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 24686799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).