4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine

C19H28N4OS — CID 23728822

IUPAC4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
SMILESCC(C)N1CCN(c2nc3ccc(CN4CCOCC4)cc3s2)CC1
InChIInChI=1S/C19H28N4OS/c1-15(2)22-5-7-23(8-6-22)19-20-17-4-3-16(13-18(17)25-19)14-21-9-11-24-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyGQPIQFIJAMCLRK-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.66
Rot. Bonds4

About 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine

4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine (PubChem CID 23728822) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
PubChem CID23728822
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
SMILESCC(C)N1CCN(c2nc3ccc(CN4CCOCC4)cc3s2)CC1
InChIInChI=1S/C19H28N4OS/c1-15(2)22-5-7-23(8-6-22)19-20-17-4-3-16(13-18(17)25-19)14-21-9-11-24-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyGQPIQFIJAMCLRK-UHFFFAOYSA-N
XLogP2.66
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine (CID 23728822) is 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine is CC(C)N1CCN(c2nc3ccc(CN4CCOCC4)cc3s2)CC1.
What is the InChIKey of 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine?
The InChIKey is GQPIQFIJAMCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-15(2)22-5-7-23(8-6-22)19-20-17-4-3-16(13-18(17)25-19)14-21-9-11-24-12-10-21/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine?
4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine has a molecular weight of 360.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine is sourced from PubChem (CID 23728822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).