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

C15H16N2O4S — CID 3146504

IUPACethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H16N2O4S/c1-4-21-14(19)12-9(2)16-15(22-12)17-13(18)10-5-7-11(20-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyMWWWQXAJGRHQOK-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.89
Rot. Bonds5

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

ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 3146504) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID3146504
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Nameethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C
InChIInChI=1S/C15H16N2O4S/c1-4-21-14(19)12-9(2)16-15(22-12)17-13(18)10-5-7-11(20-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyMWWWQXAJGRHQOK-UHFFFAOYSA-N
XLogP2.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 3146504) is ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MWWWQXAJGRHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-4-21-14(19)12-9(2)16-15(22-12)17-13(18)10-5-7-11(20-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3146504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).