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

C19H18FN5O2S — CID 15979871

IUPAC5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1
InChIInChI=1S/C19H18FN5O2S/c20-14-2-5-25(6-3-14)15-1-4-22-17(8-15)24-19-23-11-16(28-19)12-7-13(18(26)27)10-21-9-12/h1,4,7-11,14H,2-3,5-6H2,(H,26,27)(H,22,23,24)
InChIKeySEKYYOLJJPJXEU-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.98
Rot. Bonds5

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

5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 15979871) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
PubChem CID15979871
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1
InChIInChI=1S/C19H18FN5O2S/c20-14-2-5-25(6-3-14)15-1-4-22-17(8-15)24-19-23-11-16(28-19)12-7-13(18(26)27)10-21-9-12/h1,4,7-11,14H,2-3,5-6H2,(H,26,27)(H,22,23,24)
InChIKeySEKYYOLJJPJXEU-UHFFFAOYSA-N
XLogP3.98
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (CID 15979871) is 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The InChIKey is SEKYYOLJJPJXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c20-14-2-5-25(6-3-14)15-1-4-22-17(8-15)24-19-23-11-16(28-19)12-7-13(18(26)27)10-21-9-12/h1,4,7-11,14H,2-3,5-6H2,(H,26,27)(H,22,23,24).
What are the key properties of 5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 3.98, 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-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 15979871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).