2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid

C7H10N2O2S — CID 70397162

IUPAC2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid
SMILESC=CCC1(N)NC=C(C(=O)O)S1
InChIInChI=1S/C7H10N2O2S/c1-2-3-7(8)9-4-5(12-7)6(10)11/h2,4,9H,1,3,8H2,(H,10,11)
InChIKeyZHZUFPZNPMZLFA-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid

2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid (PubChem CID 70397162) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid
PubChem CID70397162
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid
SMILESC=CCC1(N)NC=C(C(=O)O)S1
InChIInChI=1S/C7H10N2O2S/c1-2-3-7(8)9-4-5(12-7)6(10)11/h2,4,9H,1,3,8H2,(H,10,11)
InChIKeyZHZUFPZNPMZLFA-UHFFFAOYSA-N
XLogP0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 139957494
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CID 22022689
4-[5-(4-carboxyphenyl)octa-1,4,7-trien-4-yl]benzoic acid
CID 67613147
6-amino-1,4-bis(prop-2-enyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70187782
(3S)-1-benzoyl-3-methyl-3-prop-2-enylpiperidin-2-one
CID 53495094
5-[[(1-prop-2-enylcyclobutanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110257
3,4,5-tris(prop-2-enyl)benzoic acid
CID 69493065
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
1-[2,2-bis(prop-2-enyl)pyrrolidin-1-yl]-2-phenylethane-1,2-dione
CID 56714153
but-3-enoic acid;terephthalic acid
CID 158519909
benzene;prop-2-enyl carbamate
CID 174893735
3,5-difluoro-4-prop-2-enylbenzoic acid
CID 13075320

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid (CID 70397162) is 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid is C=CCC1(N)NC=C(C(=O)O)S1.
What is the InChIKey of 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZHZUFPZNPMZLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-7(8)9-4-5(12-7)6(10)11/h2,4,9H,1,3,8H2,(H,10,11).
What are the key properties of 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid?
2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-prop-2-enyl-3H-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70397162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).