2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate

C13H18N2O3S — CID 78903050

IUPAC2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESC=C(C)COC(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C13H18N2O3S/c1-8(2)6-18-11(16)5-10-7-19-13(14-10)15-12(17)9(3)4/h7,9H,1,5-6H2,2-4H3,(H,14,15,17)
InChIKeyDNTUDPKURZIJOQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.40
Rot. Bonds6

About 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate

2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 78903050) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID78903050
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESC=C(C)COC(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C13H18N2O3S/c1-8(2)6-18-11(16)5-10-7-19-13(14-10)15-12(17)9(3)4/h7,9H,1,5-6H2,2-4H3,(H,14,15,17)
InChIKeyDNTUDPKURZIJOQ-UHFFFAOYSA-N
XLogP2.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[2-(4-methylpyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 19534411

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate (CID 78903050) is 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate is C=C(C)COC(=O)Cc1csc(NC(=O)C(C)C)n1.
What is the InChIKey of 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is DNTUDPKURZIJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)6-18-11(16)5-10-7-19-13(14-10)15-12(17)9(3)4/h7,9H,1,5-6H2,2-4H3,(H,14,15,17).
What are the key properties of 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate?
2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 282.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78903050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).