(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid

C7H8N4O4S — CID 14193034

IUPAC(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
SMILESNC(=O)CO/N=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C7H8N4O4S/c8-4(12)1-15-11-5(6(13)14)3-2-16-7(9)10-3/h2H,1H2,(H2,8,12)(H2,9,10)(H,13,14)/b11-5-
InChIKeyMQOQJWOGXYIVBR-WZUFQYTHSA-N
MW244.23 g/mol
LogP-0.98
Rot. Bonds5

About (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid

(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid (PubChem CID 14193034) has the molecular formula C7H8N4O4S and a molecular weight of 244.23 g/mol. Its IUPAC name is (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
PubChem CID14193034
Molecular FormulaC7H8N4O4S
Molecular Weight244.23 g/mol
Exact Mass244.03
IUPAC Name(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid
SMILESNC(=O)CO/N=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C7H8N4O4S/c8-4(12)1-15-11-5(6(13)14)3-2-16-7(9)10-3/h2H,1H2,(H2,8,12)(H2,9,10)(H,13,14)/b11-5-
InChIKeyMQOQJWOGXYIVBR-WZUFQYTHSA-N
XLogP-0.98
TPSA140.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
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

(2E)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 154043594
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetic acid
CID 88500468
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetic acid
CID 12766146
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methylsulfanylmethoxyimino)acetic acid
CID 165345269
2-(2-amino-1,3-thiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetic acid
CID 54296615
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340
sodium;2-(2-amino-1,3-thiazol-4-yl)-2-(cyanomethoxyimino)acetic acid;hydride
CID 173396804
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxopropoxyimino)acetamide
CID 89243139
2-[[1-(2-amino-1,3-thiazol-4-yl)-2-chloro-2-oxoethylidene]amino]oxyacetic acid;hydrochloride
CID 85059142
2-(2-amino-1,3-thiazol-4-yl)-2-benzoyloxyiminoacetic acid
CID 139714456
2-(2-amino-1,3-thiazol-4-yl)-2-[(2,4-dichlorophenyl)methoxyimino]acetic acid
CID 54076453

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid (CID 14193034) is (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid is NC(=O)CO/N=C(\C(=O)O)c1csc(N)n1.
What is the InChIKey of (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid?
The InChIKey is MQOQJWOGXYIVBR-WZUFQYTHSA-N. The full InChI is InChI=1S/C7H8N4O4S/c8-4(12)1-15-11-5(6(13)14)3-2-16-7(9)10-3/h2H,1H2,(H2,8,12)(H2,9,10)(H,13,14)/b11-5-.
What are the key properties of (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid?
(2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid has a molecular weight of 244.23 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-2-oxoethoxy)imino-2-(2-amino-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 14193034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).