[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate

C17H13N3O4S — CID 11824414

IUPAC[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C17H13N3O4S/c1-23-12-6-3-2-5-11(12)16(22)24-13-7-4-8-18-14(13)15(21)20-17-19-9-10-25-17/h2-10H,1H3,(H,19,20,21)
InChIKeyYFYUEDBDPOAUSC-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.02
Rot. Bonds5

About [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate

[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate (PubChem CID 11824414) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate
PubChem CID11824414
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C17H13N3O4S/c1-23-12-6-3-2-5-11(12)16(22)24-13-7-4-8-18-14(13)15(21)20-17-19-9-10-25-17/h2-10H,1H3,(H,19,20,21)
InChIKeyYFYUEDBDPOAUSC-UHFFFAOYSA-N
XLogP3.02
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate?
The IUPAC name of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate (CID 11824414) is [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate?
The canonical SMILES for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate is COc1ccccc1C(=O)Oc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate?
The InChIKey is YFYUEDBDPOAUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-23-12-6-3-2-5-11(12)16(22)24-13-7-4-8-18-14(13)15(21)20-17-19-9-10-25-17/h2-10H,1H3,(H,19,20,21).
What are the key properties of [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate?
[2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate has a molecular weight of 355.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylcarbamoyl)-3-pyridinyl] 2-methoxybenzoate is sourced from PubChem (CID 11824414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).