5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine

C21H27N5S — CID 91185484

IUPAC5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine
SMILESCc1ccc(-c2cncc(N3CCCN(C)CC3)n2)cc1C=C1CNCS1
InChIInChI=1S/C21H27N5S/c1-16-4-5-17(10-18(16)11-19-12-23-15-27-19)20-13-22-14-21(24-20)26-7-3-6-25(2)8-9-26/h4-5,10-11,13-14,23H,3,6-9,12,15H2,1-2H3
InChIKeyDLFPXBHWQFCHIJ-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.23
Rot. Bonds3

About 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine

5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine (PubChem CID 91185484) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine
PubChem CID91185484
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine
SMILESCc1ccc(-c2cncc(N3CCCN(C)CC3)n2)cc1C=C1CNCS1
InChIInChI=1S/C21H27N5S/c1-16-4-5-17(10-18(16)11-19-12-23-15-27-19)20-13-22-14-21(24-20)26-7-3-6-25(2)8-9-26/h4-5,10-11,13-14,23H,3,6-9,12,15H2,1-2H3
InChIKeyDLFPXBHWQFCHIJ-UHFFFAOYSA-N
XLogP3.23
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine?
The IUPAC name of 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine (CID 91185484) is 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine.
What is the SMILES notation for 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine?
The canonical SMILES for 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine is Cc1ccc(-c2cncc(N3CCCN(C)CC3)n2)cc1C=C1CNCS1.
What is the InChIKey of 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine?
The InChIKey is DLFPXBHWQFCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5S/c1-16-4-5-17(10-18(16)11-19-12-23-15-27-19)20-13-22-14-21(24-20)26-7-3-6-25(2)8-9-26/h4-5,10-11,13-14,23H,3,6-9,12,15H2,1-2H3.
What are the key properties of 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine?
5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine has a molecular weight of 381.55 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine is sourced from PubChem (CID 91185484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).