2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide

C22H26N6O3S2 — CID 58707056

IUPAC2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(CC(=O)NS(C)(=O)=O)CC4)s3)n2)c1
InChIInChI=1S/C22H26N6O3S2/c1-15-6-9-23-20(12-15)26-19-5-3-4-17(25-19)18-14-24-22(32-18)28-10-7-16(8-11-28)13-21(29)27-33(2,30)31/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,27,29)(H,23,25,26)
InChIKeySJTRRAGLXDCRJS-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.33
Rot. Bonds7

About 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide

2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide (PubChem CID 58707056) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide
PubChem CID58707056
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(CC(=O)NS(C)(=O)=O)CC4)s3)n2)c1
InChIInChI=1S/C22H26N6O3S2/c1-15-6-9-23-20(12-15)26-19-5-3-4-17(25-19)18-14-24-22(32-18)28-10-7-16(8-11-28)13-21(29)27-33(2,30)31/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,27,29)(H,23,25,26)
InChIKeySJTRRAGLXDCRJS-UHFFFAOYSA-N
XLogP3.33
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide (CID 58707056) is 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(CC(=O)NS(C)(=O)=O)CC4)s3)n2)c1.
What is the InChIKey of 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide?
The InChIKey is SJTRRAGLXDCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-15-6-9-23-20(12-15)26-19-5-3-4-17(25-19)18-14-24-22(32-18)28-10-7-16(8-11-28)13-21(29)27-33(2,30)31/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,27,29)(H,23,25,26).
What are the key properties of 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide?
2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide has a molecular weight of 486.62 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 58707056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).