2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde

C12H17N3O2S — CID 54342715

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
SMILESNc1nc(C(C=O)=NOC2CCCCCC2)cs1
InChIInChI=1S/C12H17N3O2S/c13-12-14-11(8-18-12)10(7-16)15-17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14)
InChIKeyNIXWJYIWHKOSIN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.37
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde

2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde (PubChem CID 54342715) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
PubChem CID54342715
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
SMILESNc1nc(C(C=O)=NOC2CCCCCC2)cs1
InChIInChI=1S/C12H17N3O2S/c13-12-14-11(8-18-12)10(7-16)15-17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14)
InChIKeyNIXWJYIWHKOSIN-UHFFFAOYSA-N
XLogP2.37
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-cyclohexyloxy-C-formylcarbonimidoyl)-1,3-thiazol-2-yl]formamide
CID 54475214
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclohexyloxyiminoacetate
CID 19853740
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate;hydrochloride
CID 173328126
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
CID 173377652
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2,2-difluoroethoxyimino)acetaldehyde
CID 23038129
methyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetate
CID 173396102
2-(2-amino-1,3-thiazol-4-yl)-2-but-3-enoxyiminoacetaldehyde
CID 54409344
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] butanoate
CID 173341288
cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 139881164
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)methoxyimino]acetaldehyde
CID 173392395

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde (CID 54342715) is 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde is Nc1nc(C(C=O)=NOC2CCCCCC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde?
The InChIKey is NIXWJYIWHKOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-12-14-11(8-18-12)10(7-16)15-17-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde?
2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde has a molecular weight of 267.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde is sourced from PubChem (CID 54342715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).