4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine

C15H21N3OS — CID 139740867

IUPAC4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine
SMILESCc1nc2sc3c(n2c1CN1CCOCC1)CCCC3
InChIInChI=1S/C15H21N3OS/c1-11-13(10-17-6-8-19-9-7-17)18-12-4-2-3-5-14(12)20-15(18)16-11/h2-10H2,1H3
InChIKeyRTUPOPXSHZUNRC-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.42
Rot. Bonds2

About 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine

4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine (PubChem CID 139740867) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine
PubChem CID139740867
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine
SMILESCc1nc2sc3c(n2c1CN1CCOCC1)CCCC3
InChIInChI=1S/C15H21N3OS/c1-11-13(10-17-6-8-19-9-7-17)18-12-4-2-3-5-14(12)20-15(18)16-11/h2-10H2,1H3
InChIKeyRTUPOPXSHZUNRC-UHFFFAOYSA-N
XLogP2.42
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine (CID 139740867) is 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine is Cc1nc2sc3c(n2c1CN1CCOCC1)CCCC3.
What is the InChIKey of 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine?
The InChIKey is RTUPOPXSHZUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-13(10-17-6-8-19-9-7-17)18-12-4-2-3-5-14(12)20-15(18)16-11/h2-10H2,1H3.
What are the key properties of 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine?
4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine has a molecular weight of 291.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]morpholine is sourced from PubChem (CID 139740867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).