2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide

C14H22N4O2S — CID 103598636

IUPAC2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
SMILESCc1csc(CC(N)=NOCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-14(16-10)7-12(15)18-20-8-13(19)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyADFMESREEOXKGP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds6

About 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide

2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide (PubChem CID 103598636) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
PubChem CID103598636
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
SMILESCc1csc(CC(N)=NOCC(=O)NC2CCCCC2)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-21-14(16-10)7-12(15)18-20-8-13(19)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyADFMESREEOXKGP-UHFFFAOYSA-N
XLogP1.73
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide?
The IUPAC name of 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide (CID 103598636) is 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide?
The canonical SMILES for 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide is Cc1csc(CC(N)=NOCC(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide?
The InChIKey is ADFMESREEOXKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-9-21-14(16-10)7-12(15)18-20-8-13(19)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide?
2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide is sourced from PubChem (CID 103598636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).