2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C14H22N4O3S — CID 95139844

IUPAC2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nc2n(c1C)CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C2
InChIInChI=1S/C14H22N4O3S/c1-10-11(2)18-5-4-17(7-13(18)15-10)8-14(19)16-12-3-6-22(20,21)9-12/h12H,3-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyDDWINMHBGYEKHV-LBPRGKRZSA-N
MW326.42 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 95139844) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID95139844
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nc2n(c1C)CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C2
InChIInChI=1S/C14H22N4O3S/c1-10-11(2)18-5-4-17(7-13(18)15-10)8-14(19)16-12-3-6-22(20,21)9-12/h12H,3-9H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyDDWINMHBGYEKHV-LBPRGKRZSA-N
XLogP-0.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35334633
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 94819756
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9223139
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95612923
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 95153079
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 62061998
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17412864
N-(1,1-dioxothiolan-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 42913954

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 95139844) is 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is Cc1nc2n(c1C)CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C2.
What is the InChIKey of 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is DDWINMHBGYEKHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-11(2)18-5-4-17(7-13(18)15-10)8-14(19)16-12-3-6-22(20,21)9-12/h12H,3-9H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 95139844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).