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

C12H20N4O2S — CID 63026196

IUPACN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCn3ccnc3C2)C1
InChIInChI=1S/C12H20N4O2S/c17-19(18)8-1-11(10-19)13-2-4-15-6-7-16-5-3-14-12(16)9-15/h3,5,11,13H,1-2,4,6-10H2
InChIKeyDSATXLDIAHQXEJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.52
Rot. Bonds4

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

N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 63026196) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID63026196
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCn3ccnc3C2)C1
InChIInChI=1S/C12H20N4O2S/c17-19(18)8-1-11(10-19)13-2-4-15-6-7-16-5-3-14-12(16)9-15/h3,5,11,13H,1-2,4,6-10H2
InChIKeyDSATXLDIAHQXEJ-UHFFFAOYSA-N
XLogP-0.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-(1H-imidazol-2-ylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70708422
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70771745
(4aR*,7aS*)-1-(3-methyl-2-buten-1-yl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70780793
(4aS*,7aR*)-1-(1H-imidazol-2-ylmethyl)-4-(3-methyl-2-buten-1-yl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70783585
2-cyclopentylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150054
2-ethylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72150097
2-Methyl-1-[(1-methylimidazol-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 53594681
(4aR*,7aS*)-1-methyl-4-[(1-methyl-1H-imidazol-2-yl)methyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70728375
(4aS*,7aR*)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70744632
1-(1,1-Dioxothiolan-3-yl)-3-(2-imidazol-1-ylethyl)urea
CID 71894170
2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772138

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 63026196) is N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCN2CCn3ccnc3C2)C1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is DSATXLDIAHQXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c17-19(18)8-1-11(10-19)13-2-4-15-6-7-16-5-3-14-12(16)9-15/h3,5,11,13H,1-2,4,6-10H2.
What are the key properties of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 284.38 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63026196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).