6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

C16H10F2N4O3S — CID 11314872

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESNc1nc(Nc2ccc(C(=O)O)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H10F2N4O3S/c17-8-2-1-3-9(18)11(8)12(23)13-14(19)22-16(26-13)21-10-5-4-7(6-20-10)15(24)25/h1-6H,19H2,(H,24,25)(H,20,21,22)
InChIKeyDIASINUCOGWOAP-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.07
Rot. Bonds5

About 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11314872) has the molecular formula C16H10F2N4O3S and a molecular weight of 376.34 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID11314872
Molecular FormulaC16H10F2N4O3S
Molecular Weight376.34 g/mol
Exact Mass376.04
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESNc1nc(Nc2ccc(C(=O)O)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H10F2N4O3S/c17-8-2-1-3-9(18)11(8)12(23)13-14(19)22-16(26-13)21-10-5-4-7(6-20-10)15(24)25/h1-6H,19H2,(H,24,25)(H,20,21,22)
InChIKeyDIASINUCOGWOAP-UHFFFAOYSA-N
XLogP3.07
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (CID 11314872) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is Nc1nc(Nc2ccc(C(=O)O)cn2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is DIASINUCOGWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O3S/c17-8-2-1-3-9(18)11(8)12(23)13-14(19)22-16(26-13)21-10-5-4-7(6-20-10)15(24)25/h1-6H,19H2,(H,24,25)(H,20,21,22).
What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 376.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11314872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).