N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide

C28H24N4O3S — CID 70113516

IUPACN'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOCc1cc2ccccc2nc1NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C28H24N4O3S/c1-34-17-21-15-20-11-5-7-13-23(20)29-26(21)31-32-27(33)24-18-36-28(30-24)22-12-6-8-14-25(22)35-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,29,31)(H,32,33)
InChIKeyPZCHHQXIMVDKJJ-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.84
Rot. Bonds9

About N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide

N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 70113516) has the molecular formula C28H24N4O3S and a molecular weight of 496.59 g/mol. Its IUPAC name is N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID70113516
Molecular FormulaC28H24N4O3S
Molecular Weight496.59 g/mol
Exact Mass496.16
IUPAC NameN'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOCc1cc2ccccc2nc1NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C28H24N4O3S/c1-34-17-21-15-20-11-5-7-13-23(20)29-26(21)31-32-27(33)24-18-36-28(30-24)22-12-6-8-14-25(22)35-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,29,31)(H,32,33)
InChIKeyPZCHHQXIMVDKJJ-UHFFFAOYSA-N
XLogP5.84
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.84
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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Related Compounds

2-(2-phenylmethoxyphenyl)-N'-(6-phenylquinolin-2-yl)-1,3-thiazole-4-carbohydrazide
CID 70113139
N-[4-[[[2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 70096084
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067434
2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
2-[2-[(2,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46165312
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide (CID 70113516) is N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide is COCc1cc2ccccc2nc1NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1.
What is the InChIKey of N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is PZCHHQXIMVDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3S/c1-34-17-21-15-20-11-5-7-13-23(20)29-26(21)31-32-27(33)24-18-36-28(30-24)22-12-6-8-14-25(22)35-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,29,31)(H,32,33).
What are the key properties of N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 496.59 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methoxymethyl)quinolin-2-yl]-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 70113516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).