4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C19H20N4OS2 — CID 133389470

IUPAC4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3cncc(SCc4ccccc4)n3)CCO2)n1
InChIInChI=1S/C19H20N4OS2/c1-14-12-26-19(21-14)16-11-23(7-8-24-16)17-9-20-10-18(22-17)25-13-15-5-3-2-4-6-15/h2-6,9-10,12,16H,7-8,11,13H2,1H3
InChIKeyJSAOIDQPSNXOPM-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.11
Rot. Bonds5

About 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine

4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 133389470) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID133389470
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3cncc(SCc4ccccc4)n3)CCO2)n1
InChIInChI=1S/C19H20N4OS2/c1-14-12-26-19(21-14)16-11-23(7-8-24-16)17-9-20-10-18(22-17)25-13-15-5-3-2-4-6-15/h2-6,9-10,12,16H,7-8,11,13H2,1H3
InChIKeyJSAOIDQPSNXOPM-UHFFFAOYSA-N
XLogP4.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 97073743
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine
CID 133389888
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 133389470) is 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(c3cncc(SCc4ccccc4)n3)CCO2)n1.
What is the InChIKey of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is JSAOIDQPSNXOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-14-12-26-19(21-14)16-11-23(7-8-24-16)17-9-20-10-18(22-17)25-13-15-5-3-2-4-6-15/h2-6,9-10,12,16H,7-8,11,13H2,1H3.
What are the key properties of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 384.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 133389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).