2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C14H21N3O2S — CID 62655183

IUPAC2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCC(C=O)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-16(2)14(19)7-13-15-12(10-20-13)8-17-5-3-11(9-18)4-6-17/h9-11H,3-8H2,1-2H3
InChIKeyZSAPFRQQYMUFDJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 62655183) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID62655183
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCC(C=O)CC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-16(2)14(19)7-13-15-12(10-20-13)8-17-5-3-11(9-18)4-6-17/h9-11H,3-8H2,1-2H3
InChIKeyZSAPFRQQYMUFDJ-UHFFFAOYSA-N
XLogP1.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
2-[1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64616893
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 64787196
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
N,N-dimethyl-2-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95277424
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95611603
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95327721
N,N-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 84599482
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 111758207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 62655183) is 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(CN2CCC(C=O)CC2)cs1.
What is the InChIKey of 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is ZSAPFRQQYMUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16(2)14(19)7-13-15-12(10-20-13)8-17-5-3-11(9-18)4-6-17/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 62655183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).