2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide

C19H17N3O2S — CID 58121041

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1sc(N2CCCc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(21-24)17-16(14-8-2-1-3-9-14)20-19(25-17)22-12-6-10-13-7-4-5-11-15(13)22/h1-5,7-9,11,24H,6,10,12H2,(H,21,23)
InChIKeyVXQJPBGDOQEBPB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.01
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 58121041) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID58121041
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1sc(N2CCCc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O2S/c23-18(21-24)17-16(14-8-2-1-3-9-14)20-19(25-17)22-12-6-10-13-7-4-5-11-15(13)22/h1-5,7-9,11,24H,6,10,12H2,(H,21,23)
InChIKeyVXQJPBGDOQEBPB-UHFFFAOYSA-N
XLogP4.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide (CID 58121041) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide is O=C(NO)c1sc(N2CCCc3ccccc32)nc1-c1ccccc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is VXQJPBGDOQEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(21-24)17-16(14-8-2-1-3-9-14)20-19(25-17)22-12-6-10-13-7-4-5-11-15(13)22/h1-5,7-9,11,24H,6,10,12H2,(H,21,23).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58121041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).