2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

C10H12N2O3S — CID 41377677

IUPAC2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(C)=O)cs1
InChIInChI=1S/C10H12N2O3S/c1-3-4-11-10-12-8(6-16-10)9(14)15-5-7(2)13/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyYGULZTKJNNFRJT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.49
Rot. Bonds6

About 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (PubChem CID 41377677) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
PubChem CID41377677
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(C)=O)cs1
InChIInChI=1S/C10H12N2O3S/c1-3-4-11-10-12-8(6-16-10)9(14)15-5-7(2)13/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyYGULZTKJNNFRJT-UHFFFAOYSA-N
XLogP1.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2642372
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 7630764
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 7469022
[2-(4-bromoanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2684804
[2-(2-methylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2624925
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 27732191
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519498
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 7469050
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2685691
2-(4-propoxyphenoxy)ethyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 41377670
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 7887090
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2686821

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (CID 41377677) is 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is C=CCNc1nc(C(=O)OCC(C)=O)cs1.
What is the InChIKey of 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is YGULZTKJNNFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-3-4-11-10-12-8(6-16-10)9(14)15-5-7(2)13/h3,6H,1,4-5H2,2H3,(H,11,12).
What are the key properties of 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 41377677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).