ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine

C14H19FN2OS — CID 167512915

IUPACethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCC.Cc1c(F)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H13FN2OS.C2H6/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15;1-2/h2-3H,4-7H2,1H3;1-2H3
InChIKeyJDTLSVNHUYIIHX-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.61
Rot. Bonds1

About ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine

ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 167512915) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Nameethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID167512915
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Nameethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCC.Cc1c(F)ccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H13FN2OS.C2H6/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15;1-2/h2-3H,4-7H2,1H3;1-2H3
InChIKeyJDTLSVNHUYIIHX-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
7-[(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)oxy]heptanamide
CID 170265301
4-[4-tert-butyl-7-[2-(5-fluoro-2-morpholin-4-yl-1,3-benzothiazol-4-yl)-2-methylpropyl]-1,3-benzothiazol-2-yl]morpholine
CID 170275973
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981539
4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691424
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574

Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine (CID 167512915) is ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine is CC.Cc1c(F)ccc2sc(N3CCOCC3)nc12.
What is the InChIKey of ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is JDTLSVNHUYIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS.C2H6/c1-8-9(13)2-3-10-11(8)14-12(17-10)15-4-6-16-7-5-15;1-2/h2-3H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine?
ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 282.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 167512915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).