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

C18H17N3O3S2 — CID 9086489

IUPACN'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccsc3)nc2C)cc1
InChIInChI=1S/C18H17N3O3S2/c1-3-24-14-6-4-12(5-7-14)16(22)20-21-17(23)15-11(2)19-18(26-15)13-8-9-25-10-13/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUPSAVQBMQZTKTF-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.65
Rot. Bonds5

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

N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 9086489) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
PubChem CID9086489
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccsc3)nc2C)cc1
InChIInChI=1S/C18H17N3O3S2/c1-3-24-14-6-4-12(5-7-14)16(22)20-21-17(23)15-11(2)19-18(26-15)13-8-9-25-10-13/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUPSAVQBMQZTKTF-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.65
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

[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116359
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-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide (CID 9086489) is N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccsc3)nc2C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is UPSAVQBMQZTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-3-24-14-6-4-12(5-7-14)16(22)20-21-17(23)15-11(2)19-18(26-15)13-8-9-25-10-13/h4-10H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide?
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 387.49 g/mol, XLogP of 3.65, 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-thiophen-3-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9086489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).