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

C8H10N2O2S — CID 11344627

IUPAC(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid
SMILESCC/C=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C8H10N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)/b5-3-
InChIKeyOCLBDVLAKARYRF-HYXAFXHYSA-N
MW198.25 g/mol
LogP1.60
Rot. Bonds3

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

(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid (PubChem CID 11344627) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid
PubChem CID11344627
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid
SMILESCC/C=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C8H10N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)/b5-3-
InChIKeyOCLBDVLAKARYRF-HYXAFXHYSA-N
XLogP1.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid?
The IUPAC name of (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid (CID 11344627) is (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid.
What is the SMILES notation for (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid?
The canonical SMILES for (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid is CC/C=C(\C(=O)O)c1csc(N)n1.
What is the InChIKey of (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid?
The InChIKey is OCLBDVLAKARYRF-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-3-5(7(11)12)6-4-13-8(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)/b5-3-.
What are the key properties of (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid?
(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid has a molecular weight of 198.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoic acid is sourced from PubChem (CID 11344627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).