2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide

C32H24N4O2S — CID 70113139

IUPAC2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNc1ccc2cc(-c3ccccc3)ccc2n1)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C32H24N4O2S/c37-31(36-35-30-18-16-25-19-24(15-17-27(25)33-30)23-11-5-2-6-12-23)28-21-39-32(34-28)26-13-7-8-14-29(26)38-20-22-9-3-1-4-10-22/h1-19,21H,20H2,(H,33,35)(H,36,37)
InChIKeyCEAQCFWUKKZOSE-UHFFFAOYSA-N
MW528.64 g/mol
LogP7.36
Rot. Bonds8

About 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide

2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 70113139) has the molecular formula C32H24N4O2S and a molecular weight of 528.64 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID70113139
Molecular FormulaC32H24N4O2S
Molecular Weight528.64 g/mol
Exact Mass528.16
IUPAC Name2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNc1ccc2cc(-c3ccccc3)ccc2n1)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C32H24N4O2S/c37-31(36-35-30-18-16-25-19-24(15-17-27(25)33-30)23-11-5-2-6-12-23)28-21-39-32(34-28)26-13-7-8-14-29(26)38-20-22-9-3-1-4-10-22/h1-19,21H,20H2,(H,33,35)(H,36,37)
InChIKeyCEAQCFWUKKZOSE-UHFFFAOYSA-N
XLogP7.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 70113516
N-[4-[[[2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 70096084
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46068253
N'-[6-[3-hydroxy-4-[(quinolin-2-ylamino)carbamoyl]phenyl]quinolin-2-yl]pyridine-2-carbohydrazide
CID 130197452
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067163
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide (CID 70113139) is 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide is O=C(NNc1ccc2cc(-c3ccccc3)ccc2n1)c1csc(-c2ccccc2OCc2ccccc2)n1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is CEAQCFWUKKZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O2S/c37-31(36-35-30-18-16-25-19-24(15-17-27(25)33-30)23-11-5-2-6-12-23)28-21-39-32(34-28)26-13-7-8-14-29(26)38-20-22-9-3-1-4-10-22/h1-19,21H,20H2,(H,33,35)(H,36,37).
What are the key properties of 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide?
2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 528.64 g/mol, XLogP of 7.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 70113139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).