2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid

C8H10ClN3O3S — CID 173070149

IUPAC2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
SMILESCCCON=C(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C8H10ClN3O3S/c1-2-3-15-12-5(7(13)14)4-6(9)16-8(10)11-4/h2-3H2,1H3,(H2,10,11)(H,13,14)
InChIKeyBGMJCZSYQHOXRE-UHFFFAOYSA-N
MW263.71 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid

2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid (PubChem CID 173070149) has the molecular formula C8H10ClN3O3S and a molecular weight of 263.71 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
PubChem CID173070149
Molecular FormulaC8H10ClN3O3S
Molecular Weight263.71 g/mol
Exact Mass263.01
IUPAC Name2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid
SMILESCCCON=C(C(=O)O)c1nc(N)sc1Cl
InChIInChI=1S/C8H10ClN3O3S/c1-2-3-15-12-5(7(13)14)4-6(9)16-8(10)11-4/h2-3H2,1H3,(H2,10,11)(H,13,14)
InChIKeyBGMJCZSYQHOXRE-UHFFFAOYSA-N
XLogP1.59
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-ethoxyiminoacetic acid
CID 54314875
(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetaldehyde
CID 173351801
(2Z)-2-(5-chloro-2-methyl-1,3-thiazol-4-yl)-2-(2-fluoroethoxyimino)acetic acid
CID 21138942
(2E)-2-[5-chloro-2-(methylamino)-1,3-thiazol-4-yl]-2-[3-(methylamino)propoxyimino]acetic acid
CID 90860149
(2E)-2-[5-chloro-2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetic acid
CID 22817763
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
CID 54403172
7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 91615594
2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxyimino]acetic acid
CID 72977468
(6R)-7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid
CID 173401915
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid?
The IUPAC name of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid (CID 173070149) is 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid.
What is the SMILES notation for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid?
The canonical SMILES for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid is CCCON=C(C(=O)O)c1nc(N)sc1Cl.
What is the InChIKey of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid?
The InChIKey is BGMJCZSYQHOXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3S/c1-2-3-15-12-5(7(13)14)4-6(9)16-8(10)11-4/h2-3H2,1H3,(H2,10,11)(H,13,14).
What are the key properties of 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid?
2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid has a molecular weight of 263.71 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-propoxyiminoacetic acid is sourced from PubChem (CID 173070149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).