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

C19H17F2N5O2S — CID 15980472

IUPAC5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1
InChIInChI=1S/C19H17F2N5O2S/c20-19(21)2-5-26(6-3-19)14-1-4-23-16(8-14)25-18-24-11-15(29-18)12-7-13(17(27)28)10-22-9-12/h1,4,7-11H,2-3,5-6H2,(H,27,28)(H,23,24,25)
InChIKeyGUNKMRSNVIBFHI-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.28
Rot. Bonds5

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

5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 15980472) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
PubChem CID15980472
Molecular FormulaC19H17F2N5O2S
Molecular Weight417.44 g/mol
Exact Mass417.11
IUPAC Name5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1
InChIInChI=1S/C19H17F2N5O2S/c20-19(21)2-5-26(6-3-19)14-1-4-23-16(8-14)25-18-24-11-15(29-18)12-7-13(17(27)28)10-22-9-12/h1,4,7-11H,2-3,5-6H2,(H,27,28)(H,23,24,25)
InChIKeyGUNKMRSNVIBFHI-UHFFFAOYSA-N
XLogP4.28
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

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CID 15979633
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CID 15980107
CID 73347326
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (CID 15980472) is 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The InChIKey is GUNKMRSNVIBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c20-19(21)2-5-26(6-3-19)14-1-4-23-16(8-14)25-18-24-11-15(29-18)12-7-13(17(27)28)10-22-9-12/h1,4,7-11H,2-3,5-6H2,(H,27,28)(H,23,24,25).
What are the key properties of 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 417.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 15980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).