5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide

C18H19N3O3S2 — CID 25468869

IUPAC5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1C
InChIInChI=1S/C18H19N3O3S2/c1-4-13-10(2)8-15(26-13)17(23)21-20-16(22)9-12-11(3)24-18(19-12)14-6-5-7-25-14/h5-8H,4,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySHWDJLXNFBPUSK-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.65
Rot. Bonds5

About 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 25468869) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID25468869
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1C
InChIInChI=1S/C18H19N3O3S2/c1-4-13-10(2)8-15(26-13)17(23)21-20-16(22)9-12-11(3)24-18(19-12)14-6-5-7-25-14/h5-8H,4,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySHWDJLXNFBPUSK-UHFFFAOYSA-N
XLogP3.65
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
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

N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78839550
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-[[3-(methoxymethyl)phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46470860
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442
3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 46514440
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32832937
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31046939
N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 120652186
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide (CID 25468869) is 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is SHWDJLXNFBPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-4-13-10(2)8-15(26-13)17(23)21-20-16(22)9-12-11(3)24-18(19-12)14-6-5-7-25-14/h5-8H,4,9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 389.50 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 5-ethyl-4-methyl-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 25468869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).