2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid

C10H13N3O3S — CID 79276375

IUPAC2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCc1nccs1
InChIInChI=1S/C10H13N3O3S/c1-2-4-13(7-9(14)15)10(16)12-6-8-11-3-5-17-8/h2-3,5H,1,4,6-7H2,(H,12,16)(H,14,15)
InChIKeyXGTNWTKAORNDJX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.93
Rot. Bonds6

About 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid

2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 79276375) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid
PubChem CID79276375
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCc1nccs1
InChIInChI=1S/C10H13N3O3S/c1-2-4-13(7-9(14)15)10(16)12-6-8-11-3-5-17-8/h2-3,5H,1,4,6-7H2,(H,12,16)(H,14,15)
InChIKeyXGTNWTKAORNDJX-UHFFFAOYSA-N
XLogP0.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromothiophen-2-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285630
2-[[bis(prop-2-enyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378783
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79276710
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995
2-[prop-2-enyl-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 79285154
2-[2,2-difluoroethylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 115408164
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277072
2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79264069
1-(2-hydroxyethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylurea
CID 111424204
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 79263328

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid (CID 79276375) is 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)NCc1nccs1.
What is the InChIKey of 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is XGTNWTKAORNDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-4-13(7-9(14)15)10(16)12-6-8-11-3-5-17-8/h2-3,5H,1,4,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid?
2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(1,3-thiazol-2-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79276375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).