[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C13H19N3O3S2 — CID 94168144

IUPAC[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C13H19N3O3S2/c1-10-8-20-13(14-10)16-5-3-15(4-6-16)12(17)11-2-7-21(18,19)9-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyBUQBEUYNAPKLNI-LLVKDONJSA-N
MW329.45 g/mol
LogP0.53
Rot. Bonds2

About [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 94168144) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID94168144
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1
InChIInChI=1S/C13H19N3O3S2/c1-10-8-20-13(14-10)16-5-3-15(4-6-16)12(17)11-2-7-21(18,19)9-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1
InChIKeyBUQBEUYNAPKLNI-LLVKDONJSA-N
XLogP0.53
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119851684
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 86848972
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(7R)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanone
CID 97339533
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110741651
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 129417782
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140

Frequently Asked Questions

What is the IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 94168144) is [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1csc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1.
What is the InChIKey of [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BUQBEUYNAPKLNI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-10-8-20-13(14-10)16-5-3-15(4-6-16)12(17)11-2-7-21(18,19)9-11/h8,11H,2-7,9H2,1H3/t11-/m1/s1.
What are the key properties of [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 329.45 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 94168144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).