N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide

C20H18N4O3S — CID 140552918

IUPACN-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide
SMILESC=Cc1ccc(NNC(=O)c2cscn2)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H18N4O3S/c1-3-13-4-7-15(23-24-20(26)18-11-28-12-21-18)10-17(13)22-19(25)14-5-8-16(27-2)9-6-14/h3-12,23H,1H2,2H3,(H,22,25)(H,24,26)
InChIKeyRPUFFKSUWMDYIB-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.80
Rot. Bonds7

About N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide

N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide (PubChem CID 140552918) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide
PubChem CID140552918
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide
SMILESC=Cc1ccc(NNC(=O)c2cscn2)cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H18N4O3S/c1-3-13-4-7-15(23-24-20(26)18-11-28-12-21-18)10-17(13)22-19(25)14-5-8-16(27-2)9-6-14/h3-12,23H,1H2,2H3,(H,22,25)(H,24,26)
InChIKeyRPUFFKSUWMDYIB-UHFFFAOYSA-N
XLogP3.80
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide (CID 140552918) is N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide is C=Cc1ccc(NNC(=O)c2cscn2)cc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide?
The InChIKey is RPUFFKSUWMDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-3-13-4-7-15(23-24-20(26)18-11-28-12-21-18)10-17(13)22-19(25)14-5-8-16(27-2)9-6-14/h3-12,23H,1H2,2H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide?
N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide has a molecular weight of 394.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 140552918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).