5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine

C26H30N4O3S — CID 144812782

IUPAC5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(Nc2ccc(-c3nc4cc(OCCN5CCOCC5)ccc4s3)cc2)no1
InChIInChI=1S/C26H30N4O3S/c1-26(2,3)23-17-24(29-33-23)27-19-6-4-18(5-7-19)25-28-21-16-20(8-9-22(21)34-25)32-15-12-30-10-13-31-14-11-30/h4-9,16-17H,10-15H2,1-3H3,(H,27,29)
InChIKeyDFIFPXFOCNYJKJ-UHFFFAOYSA-N
MW478.62 g/mol
LogP5.70
Rot. Bonds7

About 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine

5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine (PubChem CID 144812782) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine
PubChem CID144812782
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(Nc2ccc(-c3nc4cc(OCCN5CCOCC5)ccc4s3)cc2)no1
InChIInChI=1S/C26H30N4O3S/c1-26(2,3)23-17-24(29-33-23)27-19-6-4-18(5-7-19)25-28-21-16-20(8-9-22(21)34-25)32-15-12-30-10-13-31-14-11-30/h4-9,16-17H,10-15H2,1-3H3,(H,27,29)
InChIKeyDFIFPXFOCNYJKJ-UHFFFAOYSA-N
XLogP5.70
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 25235536
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzoxazol-2-yl]phenyl]urea
CID 161058555
benzenesulfonic acid;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 25234923
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]ethynyl]phenyl]urea
CID 118669372
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
CID 146729675
1-[5-(1,1,1,3,3,3-hexadeuterio-2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 52933180
2-methyl-2-[3-[[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]carbamoylamino]-1,2-oxazol-5-yl]propanoic acid;1-[5-(2-methyl-1-oxopropan-2-yl)-1,2-oxazol-3-yl]-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 160534759
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)-4a,5-dihydroimidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 163429226
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-piperidin-1-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;molecular hydrogen;propane
CID 142385766
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]ethynyl]phenyl]urea
CID 118669368
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-2-yl]ethynyl]phenyl]urea;ethane
CID 144997954
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[3-(4-methylpiperazin-1-yl)propoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 24889216

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine (CID 144812782) is 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine is CC(C)(C)c1cc(Nc2ccc(-c3nc4cc(OCCN5CCOCC5)ccc4s3)cc2)no1.
What is the InChIKey of 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine?
The InChIKey is DFIFPXFOCNYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-26(2,3)23-17-24(29-33-23)27-19-6-4-18(5-7-19)25-28-21-16-20(8-9-22(21)34-25)32-15-12-30-10-13-31-14-11-30/h4-9,16-17H,10-15H2,1-3H3,(H,27,29).
What are the key properties of 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine?
5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine has a molecular weight of 478.62 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 144812782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).