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

C19H19N5O2S — CID 15979981

IUPAC5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCCCC4)ccn3)s2)c1
InChIInChI=1S/C19H19N5O2S/c25-18(26)14-8-13(10-20-11-14)16-12-22-19(27-16)23-17-9-15(4-5-21-17)24-6-2-1-3-7-24/h4-5,8-12H,1-3,6-7H2,(H,25,26)(H,21,22,23)
InChIKeyPWSRCIAPWIEHRG-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.03
Rot. Bonds5

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

5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 15979981) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
PubChem CID15979981
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cnc(Nc3cc(N4CCCCC4)ccn3)s2)c1
InChIInChI=1S/C19H19N5O2S/c25-18(26)14-8-13(10-20-11-14)16-12-22-19(27-16)23-17-9-15(4-5-21-17)24-6-2-1-3-7-24/h4-5,8-12H,1-3,6-7H2,(H,25,26)(H,21,22,23)
InChIKeyPWSRCIAPWIEHRG-UHFFFAOYSA-N
XLogP4.03
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (CID 15979981) is 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCCCC4)ccn3)s2)c1.
What is the InChIKey of 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
The InChIKey is PWSRCIAPWIEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-18(26)14-8-13(10-20-11-14)16-12-22-19(27-16)23-17-9-15(4-5-21-17)24-6-2-1-3-7-24/h4-5,8-12H,1-3,6-7H2,(H,25,26)(H,21,22,23).
What are the key properties of 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?
5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 381.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-piperidin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 15979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).