prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H16N2O4S — CID 2138172

IUPACprop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H16N2O4S/c1-4-9-22-15(20)13-10(2)17-16(23-13)18-14(19)11-5-7-12(21-3)8-6-11/h4-8H,1,9H2,2-3H3,(H,17,18,19)
InChIKeyVHUJMINFUKKYKZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.06
Rot. Bonds6

About prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2138172) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2138172
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Nameprop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C
InChIInChI=1S/C16H16N2O4S/c1-4-9-22-15(20)13-10(2)17-16(23-13)18-14(19)11-5-7-12(21-3)8-6-11/h4-8H,1,9H2,2-3H3,(H,17,18,19)
InChIKeyVHUJMINFUKKYKZ-UHFFFAOYSA-N
XLogP3.06
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2138172) is prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C.
What is the InChIKey of prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VHUJMINFUKKYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-4-9-22-15(20)13-10(2)17-16(23-13)18-14(19)11-5-7-12(21-3)8-6-11/h4-8H,1,9H2,2-3H3,(H,17,18,19).
What are the key properties of prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2138172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).