(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid

C8H9N3O3S — CID 57433135

IUPAC(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
SMILESNC(=O)/C(=C\CC(=O)O)c1csc(N)n1
InChIInChI=1S/C8H9N3O3S/c9-7(14)4(1-2-6(12)13)5-3-15-8(10)11-5/h1,3H,2H2,(H2,9,14)(H2,10,11)(H,12,13)/b4-1-
InChIKeyIHTMJEUZNDTCBN-RJRFIUFISA-N
MW227.25 g/mol
LogP0.07
Rot. Bonds4

About (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid

(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid (PubChem CID 57433135) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid.

Molecular Properties

Compound Name(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
PubChem CID57433135
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
SMILESNC(=O)/C(=C\CC(=O)O)c1csc(N)n1
InChIInChI=1S/C8H9N3O3S/c9-7(14)4(1-2-6(12)13)5-3-15-8(10)11-5/h1,3H,2H2,(H2,9,14)(H2,10,11)(H,12,13)/b4-1-
InChIKeyIHTMJEUZNDTCBN-RJRFIUFISA-N
XLogP0.07
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid
CID 29927248
(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enedioic acid
CID 20212267
(Z)-2-(2-amino-1,3-thiazol-4-yl)-4,4-dimethylpent-2-enoic acid
CID 9991287
Cefcapene Pivoxil Impurity 66
CID 10125165
(Z)-2-(2-Aminothiazol-4-YL)-2-pentenoic acid
CID 11344627
Cefcapene Impurity 44
CID 11449241
Z-2-(2-Aminothiazol-4-yl)-2-butenoic acid
CID 13561558
(Z)-2-(2-acetamido-1,3-thiazol-4-yl)but-2-enoic acid
CID 13603195
(E)-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
CID 18659165
(Z)-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid
CID 20092746
methyl (Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylpent-2-enoate
CID 22451396
(Z)-2-(2-amino-1,3-thiazol-4-yl)hept-2-enoic acid
CID 22451404

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid?
The IUPAC name of (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid (CID 57433135) is (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid.
What is the SMILES notation for (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid?
The canonical SMILES for (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid is NC(=O)/C(=C\CC(=O)O)c1csc(N)n1.
What is the InChIKey of (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid?
The InChIKey is IHTMJEUZNDTCBN-RJRFIUFISA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-7(14)4(1-2-6(12)13)5-3-15-8(10)11-5/h1,3H,2H2,(H2,9,14)(H2,10,11)(H,12,13)/b4-1-.
What are the key properties of (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid?
(Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid has a molecular weight of 227.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-4-(2-amino-1,3-thiazol-4-yl)-5-oxopent-3-enoic acid is sourced from PubChem (CID 57433135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).