(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde

C8H10ClN3O2S — CID 173351801

IUPAC(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
SMILESCCCO/N=C(\C=O)c1nc(N)sc1Cl
InChIInChI=1S/C8H10ClN3O2S/c1-2-3-14-12-5(4-13)6-7(9)15-8(10)11-6/h4H,2-3H2,1H3,(H2,10,11)/b12-5+
InChIKeyGKCQCZQZIWTDSF-LFYBBSHMSA-N
MW247.71 g/mol
LogP1.71
Rot. Bonds5

About (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde

(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde (PubChem CID 173351801) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
PubChem CID173351801
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
SMILESCCCO/N=C(\C=O)c1nc(N)sc1Cl
InChIInChI=1S/C8H10ClN3O2S/c1-2-3-14-12-5(4-13)6-7(9)15-8(10)11-6/h4H,2-3H2,1H3,(H2,10,11)/b12-5+
InChIKeyGKCQCZQZIWTDSF-LFYBBSHMSA-N
XLogP1.71
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
CID 173070149
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
CID 54314875
3-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxypropanoic acid
CID 173411363
tert-butyl 2-[[1-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetate
CID 57266732
2-(2-amino-1,3-thiazol-4-yl)-2-but-3-enoxyiminoacetaldehyde
CID 54409344
2-amino-5-chloro-1,3-thiazole-4-carbaldehyde
CID 2763228
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(4-chlorophenyl)methoxyimino]acetaldehyde
CID 173392395
(2E)-2-[5-(dichlorophosphorylamino)-1,2,4-thiadiazol-3-yl]-2-propoxyiminoacetyl chloride
CID 18601066
(2E)-2-[(2-amino-5-chloro-1,3-thiazol-4-yl)methoxyimino]acetamide
CID 142784741
methyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxyacetate
CID 173396102
[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] butanoate
CID 173341288
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde?
The IUPAC name of (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde (CID 173351801) is (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde.
What is the SMILES notation for (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde?
The canonical SMILES for (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde is CCCO/N=C(\C=O)c1nc(N)sc1Cl.
What is the InChIKey of (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde?
The InChIKey is GKCQCZQZIWTDSF-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-2-3-14-12-5(4-13)6-7(9)15-8(10)11-6/h4H,2-3H2,1H3,(H2,10,11)/b12-5+.
What are the key properties of (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde?
(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde has a molecular weight of 247.71 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde is sourced from PubChem (CID 173351801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).