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

C14H20N2OS — CID 167513068

IUPACethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCC.Cc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H14N2OS.C2H6/c1-9-3-2-4-10-11(9)13-12(16-10)14-5-7-15-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3
InChIKeyGVEJAMZPMPWXLU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.47
Rot. Bonds1

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

ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine (PubChem CID 167513068) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Nameethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
PubChem CID167513068
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Nameethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
SMILESCC.Cc1cccc2sc(N3CCOCC3)nc12
InChIInChI=1S/C12H14N2OS.C2H6/c1-9-3-2-4-10-11(9)13-12(16-10)14-5-7-15-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3
InChIKeyGVEJAMZPMPWXLU-UHFFFAOYSA-N
XLogP3.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169
ethane;4-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167512915
4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 16849825
2-(4-benzylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 90601922
5,7-dimethyl-2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941446
4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
CID 171999825
(3aR,7aS)-5-(4-methyl-1,3-benzothiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 138018773
2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methyl-1,3-benzothiazole
CID 16941442
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254
4-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 138053151
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
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-(4-methyl-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine (CID 167513068) is ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine is CC.Cc1cccc2sc(N3CCOCC3)nc12.
What is the InChIKey of ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is GVEJAMZPMPWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.C2H6/c1-9-3-2-4-10-11(9)13-12(16-10)14-5-7-15-8-6-14;1-2/h2-4H,5-8H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine?
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 264.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 167513068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).