N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H22N4O2S — CID 129251500

IUPACN-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc4c(c3)CNC4=O)CC2)s1
InChIInChI=1S/C20H22N4O2S/c1-13(25)23-20-22-11-17(27-20)12-24-6-4-14(5-7-24)8-15-2-3-18-16(9-15)10-21-19(18)26/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyCQBDSUSXMHHYKC-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.02
Rot. Bonds4

About N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251500) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251500
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc4c(c3)CNC4=O)CC2)s1
InChIInChI=1S/C20H22N4O2S/c1-13(25)23-20-22-11-17(27-20)12-24-6-4-14(5-7-24)8-15-2-3-18-16(9-15)10-21-19(18)26/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,21,26)(H,22,23,25)
InChIKeyCQBDSUSXMHHYKC-UHFFFAOYSA-N
XLogP3.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251500) is N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc4c(c3)CNC4=O)CC2)s1.
What is the InChIKey of N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQBDSUSXMHHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13(25)23-20-22-11-17(27-20)12-24-6-4-14(5-7-24)8-15-2-3-18-16(9-15)10-21-19(18)26/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,21,26)(H,22,23,25).
What are the key properties of N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(1-oxo-2,3-dihydroisoindol-5-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).