N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

C19H18N4O3S — CID 55405847

IUPACN'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)cc1
InChIInChI=1S/C19H18N4O3S/c1-3-26-14-9-7-13(8-10-14)17(24)22-23-18(25)16-12(2)21-19(27-16)15-6-4-5-11-20-15/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJFPICPPQTJUEJV-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.99
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide

N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 55405847) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID55405847
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)cc1
InChIInChI=1S/C19H18N4O3S/c1-3-26-14-9-7-13(8-10-14)17(24)22-23-18(25)16-12(2)21-19(27-16)15-6-4-5-11-20-15/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJFPICPPQTJUEJV-UHFFFAOYSA-N
XLogP2.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.99
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-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 26782330
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
4-methyl-2-pyridin-2-yl-N'-(2,4,6-trichlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 26720800
methyl 4-methyl-3-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 17488798

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide (CID 55405847) is N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is JFPICPPQTJUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-26-14-9-7-13(8-10-14)17(24)22-23-18(25)16-12(2)21-19(27-16)15-6-4-5-11-20-15/h4-11H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide?
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 382.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55405847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).