(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde

C9H12N4O2S — CID 173377652

IUPAC(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
SMILESNc1nc(/C(C=O)=N/OC2CCCC2)ns1
InChIInChI=1S/C9H12N4O2S/c10-9-11-8(13-16-9)7(5-14)12-15-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,13)/b12-7+
InChIKeyAIXBIZSAFAKHBA-KPKJPENVSA-N
MW240.29 g/mol
LogP0.98
Rot. Bonds4

About (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde (PubChem CID 173377652) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
PubChem CID173377652
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
SMILESNc1nc(/C(C=O)=N/OC2CCCC2)ns1
InChIInChI=1S/C9H12N4O2S/c10-9-11-8(13-16-9)7(5-14)12-15-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,13)/b12-7+
InChIKeyAIXBIZSAFAKHBA-KPKJPENVSA-N
XLogP0.98
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid
CID 54111164
2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
CID 54342715
3-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxypropanoic acid
CID 173411363
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 18640128
ethyl (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252
N-[3-[(Z)-N-cyclohex-2-en-1-yloxy-C-formylcarbonimidoyl]-1,2,4-thiadiazol-5-yl]formamide
CID 173411383
S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoethanethioate
CID 10835130
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(3,3-dimethylcyclobutyl)oxyiminoacetic acid
CID 10754504
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
(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate
CID 143957938
1-[[(6S)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetyl]amino]-2-(hydroxyiminomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-carboxylic acid
CID 88720370

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde?
The IUPAC name of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde (CID 173377652) is (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde.
What is the SMILES notation for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde?
The canonical SMILES for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde is Nc1nc(/C(C=O)=N/OC2CCCC2)ns1.
What is the InChIKey of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde?
The InChIKey is AIXBIZSAFAKHBA-KPKJPENVSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-9-11-8(13-16-9)7(5-14)12-15-6-3-1-2-4-6/h5-6H,1-4H2,(H2,10,11,13)/b12-7+.
What are the key properties of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde?
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde has a molecular weight of 240.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde is sourced from PubChem (CID 173377652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).