6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine

C12H14N2OS — CID 80713313

IUPAC6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCOC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(14-10)13-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyXJASVRPHKAOYQQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.81
Rot. Bonds2

About 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine

6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 80713313) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
PubChem CID80713313
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCOC3)sc2c1
InChIInChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(14-10)13-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14)
InChIKeyXJASVRPHKAOYQQ-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114108893
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
CID 79142513
6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 89498428
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-(2,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142430
N-(2-bromo-5-methylphenyl)oxolan-3-amine
CID 82761747
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine (CID 80713313) is 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC3CCOC3)sc2c1.
What is the InChIKey of 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XJASVRPHKAOYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-2-3-10-11(6-8)16-12(14-10)13-9-4-5-15-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 80713313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).