[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C16H14F2N2O5S — CID 7954660

IUPAC[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H14F2N2O5S/c1-8-13(26-9(2)19-8)15(23)24-7-12(21)20-14(22)10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,7H2,1-2H3,(H,20,21,22)
InChIKeyNQEZLIWBAQAWAP-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.47
Rot. Bonds6

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954660) has the molecular formula C16H14F2N2O5S and a molecular weight of 384.36 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954660
Molecular FormulaC16H14F2N2O5S
Molecular Weight384.36 g/mol
Exact Mass384.06
IUPAC Name[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C16H14F2N2O5S/c1-8-13(26-9(2)19-8)15(23)24-7-12(21)20-14(22)10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,7H2,1-2H3,(H,20,21,22)
InChIKeyNQEZLIWBAQAWAP-UHFFFAOYSA-N
XLogP2.47
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954660) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is NQEZLIWBAQAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5S/c1-8-13(26-9(2)19-8)15(23)24-7-12(21)20-14(22)10-3-5-11(6-4-10)25-16(17)18/h3-6,16H,7H2,1-2H3,(H,20,21,22).
What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 384.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).