6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine

C14H18N2OS — CID 114108893

IUPAC6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCOC(C)C3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-9-3-4-12-13(7-9)18-14(16-12)15-11-5-6-17-10(2)8-11/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQVCUMRMYVADCNL-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.58
Rot. Bonds2

About 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine

6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 114108893) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
PubChem CID114108893
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCOC(C)C3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-9-3-4-12-13(7-9)18-14(16-12)15-11-5-6-17-10(2)8-11/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyQVCUMRMYVADCNL-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-(2,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142430
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82728861
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
CID 79142513
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-(2-methoxy-5-methylphenyl)methanone
CID 143823679
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine (CID 114108893) is 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC3CCOC(C)C3)sc2c1.
What is the InChIKey of 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QVCUMRMYVADCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-3-4-12-13(7-9)18-14(16-12)15-11-5-6-17-10(2)8-11/h3-4,7,10-11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114108893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).