ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine

C15H22N2OS — CID 145100782

IUPACethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
SMILESCC.Cc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C13H16N2OS.C2H6/c1-10-14-12-3-2-11(8-13(12)17-10)9-15-4-6-16-7-5-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3
InChIKeyBUJKYUFUKKFPHG-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.46
Rot. Bonds2

About ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine

ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine (PubChem CID 145100782) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine.

Molecular Properties

Compound Nameethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
PubChem CID145100782
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nameethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
SMILESCC.Cc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C13H16N2OS.C2H6/c1-10-14-12-3-2-11(8-13(12)17-10)9-15-4-6-16-7-5-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3
InChIKeyBUJKYUFUKKFPHG-UHFFFAOYSA-N
XLogP3.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
CID 23728822
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120844245
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120838011
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine?
The IUPAC name of ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine (CID 145100782) is ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine.
What is the SMILES notation for ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine?
The canonical SMILES for ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine is CC.Cc1nc2ccc(CN3CCOCC3)cc2s1.
What is the InChIKey of ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine?
The InChIKey is BUJKYUFUKKFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.C2H6/c1-10-14-12-3-2-11(8-13(12)17-10)9-15-4-6-16-7-5-15;1-2/h2-3,8H,4-7,9H2,1H3;1-2H3.
What are the key properties of ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine?
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine has a molecular weight of 278.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine is sourced from PubChem (CID 145100782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).