(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid

C12H18ClN3O4SSi — CID 88756843

IUPAC(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid
SMILESC[Si](C)(C)CCO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C12H18ClN3O4SSi/c1-22(2,3)5-4-20-16-10(11(18)19)8-7-21-12(14-8)15-9(17)6-13/h7H,4-6H2,1-3H3,(H,18,19)(H,14,15,17)/b16-10-
InChIKeyDVRQWNQQPRXCAB-YBEGLDIGSA-N
MW363.90 g/mol
LogP2.46
Rot. Bonds8

About (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid

(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid (PubChem CID 88756843) has the molecular formula C12H18ClN3O4SSi and a molecular weight of 363.90 g/mol. Its IUPAC name is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid.

Molecular Properties

Compound Name(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid
PubChem CID88756843
Molecular FormulaC12H18ClN3O4SSi
Molecular Weight363.90 g/mol
Exact Mass363.05
IUPAC Name(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid
SMILESC[Si](C)(C)CCO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C12H18ClN3O4SSi/c1-22(2,3)5-4-20-16-10(11(18)19)8-7-21-12(14-8)15-9(17)6-13/h7H,4-6H2,1-3H3,(H,18,19)(H,14,15,17)/b16-10-
InChIKeyDVRQWNQQPRXCAB-YBEGLDIGSA-N
XLogP2.46
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 54419503
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl chloride;hydrochloride
CID 19869087
methyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-phenylmethoxyiminoacetate
CID 173396675
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 13323080
2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
CID 22839744
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-[(2-oxo-4H-imidazol-3-yl)imino]acetic acid
CID 88738548
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 3593442
(2Z)-2-(2-acetamidoethoxyimino)-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 135386932
2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484
2-formyloxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 139707633
(2Z)-2-(2-hydroxyethoxyimino)-2-(2-methyl-1,3-thiazol-4-yl)acetic acid
CID 135193915
2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 139701853

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid?
The IUPAC name of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid (CID 88756843) is (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid.
What is the SMILES notation for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid?
The canonical SMILES for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid is C[Si](C)(C)CCO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1.
What is the InChIKey of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid?
The InChIKey is DVRQWNQQPRXCAB-YBEGLDIGSA-N. The full InChI is InChI=1S/C12H18ClN3O4SSi/c1-22(2,3)5-4-20-16-10(11(18)19)8-7-21-12(14-8)15-9(17)6-13/h7H,4-6H2,1-3H3,(H,18,19)(H,14,15,17)/b16-10-.
What are the key properties of (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid?
(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid has a molecular weight of 363.90 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-(2-trimethylsilylethoxyimino)acetic acid is sourced from PubChem (CID 88756843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).