N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine

C22H22N4O2S — CID 15986173

IUPACN-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2ncoc2-c2ccc3nc(NCCN4CCOCC4)sc3c2)cc1
InChIInChI=1S/C22H22N4O2S/c1-2-4-16(5-3-1)20-21(28-15-24-20)17-6-7-18-19(14-17)29-22(25-18)23-8-9-26-10-12-27-13-11-26/h1-7,14-15H,8-13H2,(H,23,25)
InChIKeyUYFKWZSGEWLVDJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.36
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine

N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine (PubChem CID 15986173) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine
PubChem CID15986173
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2ncoc2-c2ccc3nc(NCCN4CCOCC4)sc3c2)cc1
InChIInChI=1S/C22H22N4O2S/c1-2-4-16(5-3-1)20-21(28-15-24-20)17-6-7-18-19(14-17)29-22(25-18)23-8-9-26-10-12-27-13-11-26/h1-7,14-15H,8-13H2,(H,23,25)
InChIKeyUYFKWZSGEWLVDJ-UHFFFAOYSA-N
XLogP4.36
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine (CID 15986173) is N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine is c1ccc(-c2ncoc2-c2ccc3nc(NCCN4CCOCC4)sc3c2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine?
The InChIKey is UYFKWZSGEWLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-2-4-16(5-3-1)20-21(28-15-24-20)17-6-7-18-19(14-17)29-22(25-18)23-8-9-26-10-12-27-13-11-26/h1-7,14-15H,8-13H2,(H,23,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine?
N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine has a molecular weight of 406.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-(4-phenyl-1,3-oxazol-5-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 15986173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).