2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide

C26H26N4O3S — CID 30185543

IUPAC2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC1CCN(Cc2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)CC1
InChIInChI=1S/C26H26N4O3S/c1-17-9-11-29(12-10-17)15-20-16-34-26(27-20)28-23(31)19-7-8-21-22(13-19)25(33)30(24(21)32)14-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,27,28,31)
InChIKeySFNJNFITYTZIEI-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.42
Rot. Bonds6

About 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 30185543) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID30185543
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCC1CCN(Cc2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)CC1
InChIInChI=1S/C26H26N4O3S/c1-17-9-11-29(12-10-17)15-20-16-34-26(27-20)28-23(31)19-7-8-21-22(13-19)25(33)30(24(21)32)14-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,27,28,31)
InChIKeySFNJNFITYTZIEI-UHFFFAOYSA-N
XLogP4.42
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylbenzamide
CID 30186483
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 108768206
2-[(4-methoxyphenyl)methyl]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760646
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 26130496
2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 30186524
1-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 112813953
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide (CID 30185543) is 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide is CC1CCN(Cc2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)CC1.
What is the InChIKey of 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SFNJNFITYTZIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17-9-11-29(12-10-17)15-20-16-34-26(27-20)28-23(31)19-7-8-21-22(13-19)25(33)30(24(21)32)14-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H,27,28,31).
What are the key properties of 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 30185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).