N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide

C16H23N5OS — CID 97188445

IUPACN,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C16H23N5OS/c1-19(2)15(22)10-20-6-3-4-13(8-20)16-17-5-7-21(16)9-14-11-23-12-18-14/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyQFVXTYJZHBMRSY-ZDUSSCGKSA-N
MW333.46 g/mol
LogP1.66
Rot. Bonds5

About N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 97188445) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
PubChem CID97188445
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C16H23N5OS/c1-19(2)15(22)10-20-6-3-4-13(8-20)16-17-5-7-21(16)9-14-11-23-12-18-14/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyQFVXTYJZHBMRSY-ZDUSSCGKSA-N
XLogP1.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
2-[2-methoxyethyl(methyl)amino]-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72902331
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
3-[2-oxo-2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 72842570
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72877462
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97275438
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide (CID 97188445) is N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is QFVXTYJZHBMRSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-19(2)15(22)10-20-6-3-4-13(8-20)16-17-5-7-21(16)9-14-11-23-12-18-14/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 97188445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).