2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole

C19H23N5S2 — CID 133389821

IUPAC2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CN=C(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)S1
InChIInChI=1S/C19H23N5S2/c1-15-11-21-19(26-15)24-9-7-23(8-10-24)17-12-20-13-18(22-17)25-14-16-5-3-2-4-6-16/h2-6,12-13,15H,7-11,14H2,1H3
InChIKeyOATOQQXVMXNNCD-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole

2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 133389821) has the molecular formula C19H23N5S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
PubChem CID133389821
Molecular FormulaC19H23N5S2
Molecular Weight385.56 g/mol
Exact Mass385.14
IUPAC Name2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CN=C(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)S1
InChIInChI=1S/C19H23N5S2/c1-15-11-21-19(26-15)24-9-7-23(8-10-24)17-12-20-13-18(22-17)25-14-16-5-3-2-4-6-16/h2-6,12-13,15H,7-11,14H2,1H3
InChIKeyOATOQQXVMXNNCD-UHFFFAOYSA-N
XLogP3.38
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133390013
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479425
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 133389485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole (CID 133389821) is 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole is CC1CN=C(N2CCN(c3cncc(SCc4ccccc4)n3)CC2)S1.
What is the InChIKey of 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is OATOQQXVMXNNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S2/c1-15-11-21-19(26-15)24-9-7-23(8-10-24)17-12-20-13-18(22-17)25-14-16-5-3-2-4-6-16/h2-6,12-13,15H,7-11,14H2,1H3.
What are the key properties of 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole?
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 385.56 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 133389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).