methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate

C17H11F2N3O3S — CID 71262567

IUPACmethyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H11F2N3O3S/c1-25-17(24)9-5-6-20-7-12(9)21-15(23)13-8-26-16(22-13)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,21,23)
InChIKeyPZFQDJHGLUDYMY-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.52
Rot. Bonds4

About methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate

methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate (PubChem CID 71262567) has the molecular formula C17H11F2N3O3S and a molecular weight of 375.36 g/mol. Its IUPAC name is methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate
PubChem CID71262567
Molecular FormulaC17H11F2N3O3S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC Namemethyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C17H11F2N3O3S/c1-25-17(24)9-5-6-20-7-12(9)21-15(23)13-8-26-16(22-13)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,21,23)
InChIKeyPZFQDJHGLUDYMY-UHFFFAOYSA-N
XLogP3.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate (CID 71262567) is methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1NC(=O)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate?
The InChIKey is PZFQDJHGLUDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3S/c1-25-17(24)9-5-6-20-7-12(9)21-15(23)13-8-26-16(22-13)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,21,23).
What are the key properties of methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate?
methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate has a molecular weight of 375.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 71262567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).