2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine

C19H26N4OS — CID 95143429

IUPAC2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H26N4OS/c1-14-12-20-15(2)19(21-14)23-9-7-22(8-10-23)13-16-5-6-18(25-16)17-4-3-11-24-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3/t17-/m0/s1
InChIKeyFBBIWLNACGVTOG-KRWDZBQOSA-N
MW358.51 g/mol
LogP3.33
Rot. Bonds4

About 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 95143429) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID95143429
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H26N4OS/c1-14-12-20-15(2)19(21-14)23-9-7-22(8-10-23)13-16-5-6-18(25-16)17-4-3-11-24-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3/t17-/m0/s1
InChIKeyFBBIWLNACGVTOG-KRWDZBQOSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine with MolForge

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Related Compounds

1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 131907476
6-[4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 74246038
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 77084296
1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95877254
5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854874
5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 99946534
1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56749490
1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
CID 45227943
2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 91842389

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine (CID 95143429) is 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is FBBIWLNACGVTOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-12-20-15(2)19(21-14)23-9-7-22(8-10-23)13-16-5-6-18(25-16)17-4-3-11-24-17/h5-6,12,17H,3-4,7-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 358.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 95143429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).