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

C15H21N3O4S — CID 110446324

IUPACprop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)C(C)N2CCOCC2)nc1C
InChIInChI=1S/C15H21N3O4S/c1-4-7-22-14(20)12-10(2)16-15(23-12)17-13(19)11(3)18-5-8-21-9-6-18/h4,11H,1,5-9H2,2-3H3,(H,16,17,19)
InChIKeyWLYRGVNZLTZKDN-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.45
Rot. Bonds6

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

prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 110446324) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID110446324
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Nameprop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)C(C)N2CCOCC2)nc1C
InChIInChI=1S/C15H21N3O4S/c1-4-7-22-14(20)12-10(2)16-15(23-12)17-13(19)11(3)18-5-8-21-9-6-18/h4,11H,1,5-9H2,2-3H3,(H,16,17,19)
InChIKeyWLYRGVNZLTZKDN-UHFFFAOYSA-N
XLogP1.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 46305351
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
CID 110441292
prop-2-enyl 2-[[2-(2-hydroxyethylamino)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82358531
4-[(4-methyl-5-prop-2-enoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 39187263
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-ylpropanamide
CID 19256692
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 51077604
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylpropanamide
CID 110446344
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-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108796397

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate (CID 110446324) is prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(NC(=O)C(C)N2CCOCC2)nc1C.
What is the InChIKey of prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is WLYRGVNZLTZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-4-7-22-14(20)12-10(2)16-15(23-12)17-13(19)11(3)18-5-8-21-9-6-18/h4,11H,1,5-9H2,2-3H3,(H,16,17,19).
What are the key properties of prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-2-(2-morpholin-4-ylpropanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 110446324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).