prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

C8H9N3O3S — CID 67053455

IUPACprop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C8H9N3O3S/c1-2-3-14-8(13)6-4(9)5(7(10)12)11-15-6/h2H,1,3,9H2,(H2,10,12)
InChIKeyDVPCQWGMSZENRK-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.17
Rot. Bonds4

About prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (PubChem CID 67053455) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
PubChem CID67053455
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC Nameprop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C8H9N3O3S/c1-2-3-14-8(13)6-4(9)5(7(10)12)11-15-6/h2H,1,3,9H2,(H2,10,12)
InChIKeyDVPCQWGMSZENRK-UHFFFAOYSA-N
XLogP0.17
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CID 67053455) is prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is C=CCOC(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The InChIKey is DVPCQWGMSZENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c1-2-3-14-8(13)6-4(9)5(7(10)12)11-15-6/h2H,1,3,9H2,(H2,10,12).
What are the key properties of prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate has a molecular weight of 227.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 67053455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).