2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol

C14H18N2O2S — CID 166230534

IUPAC2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol
SMILESCC1COCC(C)N1Cc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H18N2O2S/c1-9-7-18-8-10(2)16(9)6-14-15-12-4-3-11(17)5-13(12)19-14/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeySLQNXDILCBXHGY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.61
Rot. Bonds2

About 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol

2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol (PubChem CID 166230534) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol
PubChem CID166230534
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol
SMILESCC1COCC(C)N1Cc1nc2ccc(O)cc2s1
InChIInChI=1S/C14H18N2O2S/c1-9-7-18-8-10(2)16(9)6-14-15-12-4-3-11(17)5-13(12)19-14/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeySLQNXDILCBXHGY-UHFFFAOYSA-N
XLogP2.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
2-[4-(propylamino)piperidin-1-yl]-1,3-benzothiazol-6-ol
CID 91806718
6-fluoro-2-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-benzothiazole;hydrochloride
CID 120839089
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120840187
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
2-[(2-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 55104966
3-(1,3-benzothiazol-2-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43204576

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol (CID 166230534) is 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol is CC1COCC(C)N1Cc1nc2ccc(O)cc2s1.
What is the InChIKey of 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol?
The InChIKey is SLQNXDILCBXHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-7-18-8-10(2)16(9)6-14-15-12-4-3-11(17)5-13(12)19-14/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol?
2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol has a molecular weight of 278.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 166230534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).