2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H22N2O2S — CID 116774433

IUPAC2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3(OC)CCOCC3)sc21
InChIInChI=1S/C14H22N2O2S/c1-15-10-4-3-5-11-12(10)19-13(16-11)14(17-2)6-8-18-9-7-14/h10,15H,3-9H2,1-2H3
InChIKeyFPQHZFQMNWZUBR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds3

About 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 116774433) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID116774433
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(C3(OC)CCOCC3)sc21
InChIInChI=1S/C14H22N2O2S/c1-15-10-4-3-5-11-12(10)19-13(16-11)14(17-2)6-8-18-9-7-14/h10,15H,3-9H2,1-2H3
InChIKeyFPQHZFQMNWZUBR-UHFFFAOYSA-N
XLogP2.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

N-methyl-2-(oxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62386843
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774418
2-(4-ethoxyoxan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116775215
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116774417
N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083
2-(1-methoxybutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727661
2-N-ethyl-2-N-(2-methoxyethyl)-7-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753608
N-ethyl-2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 80683683
N-methyl-2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65422382
2-N,7-N-dimethyl-2-N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751242
2-N-(3,3-dimethylbutan-2-yl)-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754583

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 116774433) is 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(C3(OC)CCOCC3)sc21.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is FPQHZFQMNWZUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-10-4-3-5-11-12(10)19-13(16-11)14(17-2)6-8-18-9-7-14/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 282.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116774433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).