prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate

C11H14N2O3S — CID 110441292

IUPACprop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)CC)nc1C
InChIInChI=1S/C11H14N2O3S/c1-4-6-16-10(15)9-7(3)12-11(17-9)13-8(14)5-2/h4H,1,5-6H2,2-3H3,(H,12,13,14)
InChIKeyZIYXQULXAWTGOR-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.14
Rot. Bonds5

About prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate

prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 110441292) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID110441292
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameprop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)CC)nc1C
InChIInChI=1S/C11H14N2O3S/c1-4-6-16-10(15)9-7(3)12-11(17-9)13-8(14)5-2/h4H,1,5-6H2,2-3H3,(H,12,13,14)
InChIKeyZIYXQULXAWTGOR-UHFFFAOYSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.14
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

4-[(4-methyl-5-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 39187263
prop-2-enyl 2-[[2-(2-hydroxyethylamino)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82358531
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
prop-2-enyl 2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796465
prop-2-enyl 2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39149038
prop-2-enyl 4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146511
prop-2-enyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108796397
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110446324
prop-2-enyl 4-methyl-2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 39773541

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate (CID 110441292) is prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(NC(=O)CC)nc1C.
What is the InChIKey of prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ZIYXQULXAWTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-4-6-16-10(15)9-7(3)12-11(17-9)13-8(14)5-2/h4H,1,5-6H2,2-3H3,(H,12,13,14).
What are the key properties of prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110441292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).