3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide

C15H22N4O2S — CID 144838067

IUPAC3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide
SMILESCCc1cccc(NC)c1SCc1ncc(C)o1.NNC=O
InChIInChI=1S/C14H18N2OS.CH4N2O/c1-4-11-6-5-7-12(15-3)14(11)18-9-13-16-8-10(2)17-13;2-3-1-4/h5-8,15H,4,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyPWKGZXWJKCFVFP-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.49
Rot. Bonds6

About 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide

3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide (PubChem CID 144838067) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide.

Molecular Properties

Compound Name3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide
PubChem CID144838067
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide
SMILESCCc1cccc(NC)c1SCc1ncc(C)o1.NNC=O
InChIInChI=1S/C14H18N2OS.CH4N2O/c1-4-11-6-5-7-12(15-3)14(11)18-9-13-16-8-10(2)17-13;2-3-1-4/h5-8,15H,4,9H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyPWKGZXWJKCFVFP-UHFFFAOYSA-N
XLogP2.49
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide?
The IUPAC name of 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide (CID 144838067) is 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide.
What is the SMILES notation for 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide?
The canonical SMILES for 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide is CCc1cccc(NC)c1SCc1ncc(C)o1.NNC=O.
What is the InChIKey of 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide?
The InChIKey is PWKGZXWJKCFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.CH4N2O/c1-4-11-6-5-7-12(15-3)14(11)18-9-13-16-8-10(2)17-13;2-3-1-4/h5-8,15H,4,9H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide?
3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide has a molecular weight of 322.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylsulfanyl]aniline;formohydrazide is sourced from PubChem (CID 144838067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).