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

C18H18N6O2S — CID 15979633

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

5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 15979633) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
• PubChem CID: 15979633
• Molecular Formula: C18H18N6O2S
• Molecular Weight: 382.45 g/mol
• Exact Mass: 382.12
• IUPAC Name: 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1
• InChI: InChI=1S/C18H18N6O2S/c25-17(26)13-7-12(9-20-10-13)15-11-22-18(27-15)23-16-8-14(1-2-21-16)24-5-3-19-4-6-24/h1-2,7-11,19H,3-6H2,(H,25,26)(H,21,22,23)
• InChIKey: XBOYDJMJOONFFV-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 103.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.45
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid (CID 15979633) is 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1.

What is the InChIKey of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?

The InChIKey is XBOYDJMJOONFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c25-17(26)13-7-12(9-20-10-13)15-11-22-18(27-15)23-16-8-14(1-2-21-16)24-5-3-19-4-6-24/h1-2,7-11,19H,3-6H2,(H,25,26)(H,21,22,23).

What are the key properties of 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid?

5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 382.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(4-piperazin-1-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 15979633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).