(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate

C9H13N3O3S — CID 151561122

IUPAC(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
SMILESCC(C)CON=CC(=O)Oc1csc(N)n1
InChIInChI=1S/C9H13N3O3S/c1-6(2)4-14-11-3-8(13)15-7-5-16-9(10)12-7/h3,5-6H,4H2,1-2H3,(H2,10,12)
InChIKeyQCMFWFQTOABRBT-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.29
Rot. Bonds5

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

(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate (PubChem CID 151561122) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
PubChem CID151561122
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate
SMILESCC(C)CON=CC(=O)Oc1csc(N)n1
InChIInChI=1S/C9H13N3O3S/c1-6(2)4-14-11-3-8(13)15-7-5-16-9(10)12-7/h3,5-6H,4H2,1-2H3,(H2,10,12)
InChIKeyQCMFWFQTOABRBT-UHFFFAOYSA-N
XLogP1.29
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-1,3-thiazol-4-yl) 2-methoxyiminoacetate;hydrochloride
CID 174288958
(2-amino-1,3-thiazol-4-yl) (2Z)-2-hydroxyiminoacetate
CID 88605381
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
2-methylpropyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate
CID 15053527
2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]ethanethioic S-acid
CID 154451443
2-(2-amino-1,3-thiazol-4-yl)-3-(2-oxoethylideneamino)oxypropanoic acid
CID 54442886
2-[2-(2-amino-1,3-thiazol-4-yl)butoxyimino]acetaldehyde
CID 54263586
[2-(tritylamino)-1,3-thiazol-4-yl] 2-methoxyiminoacetate
CID 57119759
tert-butyl 3-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 173407476
(NE)-N-[2-amino-1-(2-amino-1,3-thiazol-4-yl)propylidene]hydroxylamine
CID 166829588
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]oxyacetic acid
CID 123144089

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate (CID 151561122) is (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate is CC(C)CON=CC(=O)Oc1csc(N)n1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate?
The InChIKey is QCMFWFQTOABRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6(2)4-14-11-3-8(13)15-7-5-16-9(10)12-7/h3,5-6H,4H2,1-2H3,(H2,10,12).
What are the key properties of (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate?
(2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate has a molecular weight of 243.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl) 2-(2-methylpropoxyimino)acetate is sourced from PubChem (CID 151561122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).