2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C16H28N4OS — CID 97092305

IUPAC2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CN=C(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)S1
InChIInChI=1S/C16H28N4OS/c1-13-5-3-4-6-20(13)15(21)12-18-7-9-19(10-8-18)16-17-11-14(2)22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyATIHVEWCVFYKDQ-KBPBESRZSA-N
MW324.49 g/mol
LogP1.50
Rot. Bonds2

About 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 97092305) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID97092305
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CN=C(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)S1
InChIInChI=1S/C16H28N4OS/c1-13-5-3-4-6-20(13)15(21)12-18-7-9-19(10-8-18)16-17-11-14(2)22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyATIHVEWCVFYKDQ-KBPBESRZSA-N
XLogP1.50
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 120898377
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 97092305) is 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is C[C@H]1CN=C(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)S1.
What is the InChIKey of 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is ATIHVEWCVFYKDQ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-13-5-3-4-6-20(13)15(21)12-18-7-9-19(10-8-18)16-17-11-14(2)22-16/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 324.49 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 97092305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).