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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Related Compounds

2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
CID 87024134
N'-[(2-cyclopropyl-1,3-thiazol-4-yl)methoxy]-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
CID 99697530
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
CID 126805518
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
CID 16768363
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
N'-amino-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
CID 62795006
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
CID 51654514
1-cyclohexyl-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119115680
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981

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).