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

C6H6N2O2S — CID 70407075

IUPAC(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid
SMILESN/C(=C\c1nccs1)C(=O)O
InChIInChI=1S/C6H6N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-3H,7H2,(H,9,10)/b4-3-
InChIKeyZDWNMLBUBIOXIU-ARJAWSKDSA-N
MW170.19 g/mol
LogP0.53
Rot. Bonds2

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

(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid (PubChem CID 70407075) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid
PubChem CID70407075
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid
SMILESN/C(=C\c1nccs1)C(=O)O
InChIInChI=1S/C6H6N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-3H,7H2,(H,9,10)/b4-3-
InChIKeyZDWNMLBUBIOXIU-ARJAWSKDSA-N
XLogP0.53
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.53
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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Related Compounds

(E)-2-amino-4-(1,3-thiazol-2-yl)but-2-enoic acid
CID 104830981
(E)-3-(1,3-thiazol-2-yl)(1,2,3-13C3)prop-2-enoic acid
CID 171379273
(Z)-2-(4-methylsulfonylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 21094115
(E)-2-(4-methylsulfinylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 142933247
1,3-thiazol-2-amine;urea
CID 87216573
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
4-(1,3-thiazol-2-yl)but-3-en-2-one
CID 54371892
2-ethoxy-1-(1,3-thiazol-2-yl)hex-1-en-3-one
CID 175911040
(E)-N-(diaminomethylidene)-2-pyridin-3-yl-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 146034448
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine
CID 135407689
2-(1,3-thiazol-2-yl)ethenesulfonamide
CID 171034875

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid (CID 70407075) is (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid is N/C(=C\c1nccs1)C(=O)O.
What is the InChIKey of (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid?
The InChIKey is ZDWNMLBUBIOXIU-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-3H,7H2,(H,9,10)/b4-3-.
What are the key properties of (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid?
(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid has a molecular weight of 170.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid is sourced from PubChem (CID 70407075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).