N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H25N5OS — CID 95327721

IUPACN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCCC[C@@H]2Cn2cccn2)cs1
InChIInChI=1S/C17H25N5OS/c1-20(2)17(23)10-16-19-14(13-24-16)11-21-8-4-3-6-15(21)12-22-9-5-7-18-22/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyJPJSFCXWHOHYPU-OAHLLOKOSA-N
MW347.49 g/mol
LogP2.03
Rot. Bonds6

About N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95327721) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95327721
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCCC[C@@H]2Cn2cccn2)cs1
InChIInChI=1S/C17H25N5OS/c1-20(2)17(23)10-16-19-14(13-24-16)11-21-8-4-3-6-15(21)12-22-9-5-7-18-22/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyJPJSFCXWHOHYPU-OAHLLOKOSA-N
XLogP2.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95611603
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
N,N-dimethyl-2-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95277424
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 111495984
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
2-[4-[(4-formylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 62655183
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95327721) is N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CN(C)C(=O)Cc1nc(CN2CCCC[C@@H]2Cn2cccn2)cs1.
What is the InChIKey of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JPJSFCXWHOHYPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-20(2)17(23)10-16-19-14(13-24-16)11-21-8-4-3-6-15(21)12-22-9-5-7-18-22/h5,7,9,13,15H,3-4,6,8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95327721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).