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

C23H27N5OS — CID 58706583

IUPAC1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCc2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1
InChIInChI=1S/C23H27N5OS/c1-16-8-11-24-22(14-16)27-21-5-3-4-19(26-21)20-15-25-23(30-20)7-6-18-9-12-28(13-10-18)17(2)29/h3-5,8,11,14-15,18H,6-7,9-10,12-13H2,1-2H3,(H,24,26,27)
InChIKeyFGUPDCFDOPXPHG-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.84
Rot. Bonds6

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

1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 58706583) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID58706583
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCc2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1
InChIInChI=1S/C23H27N5OS/c1-16-8-11-24-22(14-16)27-21-5-3-4-19(26-21)20-15-25-23(30-20)7-6-18-9-12-28(13-10-18)17(2)29/h3-5,8,11,14-15,18H,6-7,9-10,12-13H2,1-2H3,(H,24,26,27)
InChIKeyFGUPDCFDOPXPHG-UHFFFAOYSA-N
XLogP4.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone (CID 58706583) is 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCc2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1.
What is the InChIKey of 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is FGUPDCFDOPXPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-16-8-11-24-22(14-16)27-21-5-3-4-19(26-21)20-15-25-23(30-20)7-6-18-9-12-28(13-10-18)17(2)29/h3-5,8,11,14-15,18H,6-7,9-10,12-13H2,1-2H3,(H,24,26,27).
What are the key properties of 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 421.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58706583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).