4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole

C13H16N2S2 — CID 171335889

IUPAC4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCSCC3)sc2c1
InChIInChI=1S/C13H16N2S2/c1-9-7-10(2)12-11(8-9)17-13(14-12)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyGAAHPHVMGNJKOJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.47
Rot. Bonds1

About 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole

4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole (PubChem CID 171335889) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
PubChem CID171335889
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(N3CCSCC3)sc2c1
InChIInChI=1S/C13H16N2S2/c1-9-7-10(2)12-11(8-9)17-13(14-12)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3
InChIKeyGAAHPHVMGNJKOJ-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
CID 138054597
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 20883887
6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 163348324
S-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate
CID 16949247
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 6623341
2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-4,6-dimethyl-1,3-benzothiazole
CID 163345219

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole?
The IUPAC name of 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole (CID 171335889) is 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole is Cc1cc(C)c2nc(N3CCSCC3)sc2c1.
What is the InChIKey of 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole?
The InChIKey is GAAHPHVMGNJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-9-7-10(2)12-11(8-9)17-13(14-12)15-3-5-16-6-4-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole?
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole has a molecular weight of 264.42 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 4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 171335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).