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

C15H16N2O5S — CID 898510

IUPACmethyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C
InChIInChI=1S/C15H16N2O5S/c1-8-12(14(19)22-4)23-15(16-8)17-13(18)10-6-5-9(20-2)7-11(10)21-3/h5-7H,1-4H3,(H,16,17,18)
InChIKeyUVJAIZRIKRBEIP-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.51
Rot. Bonds5

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

methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 898510) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID898510
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C
InChIInChI=1S/C15H16N2O5S/c1-8-12(14(19)22-4)23-15(16-8)17-13(18)10-6-5-9(20-2)7-11(10)21-3/h5-7H,1-4H3,(H,16,17,18)
InChIKeyUVJAIZRIKRBEIP-UHFFFAOYSA-N
XLogP2.51
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 898510) is methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C.
What is the InChIKey of methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UVJAIZRIKRBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-8-12(14(19)22-4)23-15(16-8)17-13(18)10-6-5-9(20-2)7-11(10)21-3/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 898510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).