N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C14H22N2OS2 — CID 79969937

IUPACN,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3CSCCO3)sc21
InChIInChI=1S/C14H22N2OS2/c1-14(2)6-9(15-3)12-10(7-14)16-13(19-12)11-8-18-5-4-17-11/h9,11,15H,4-8H2,1-3H3
InChIKeyNGBCLANCUPHBQE-UHFFFAOYSA-N
MW298.48 g/mol
LogP3.18
Rot. Bonds2

About N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 79969937) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID79969937
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3CSCCO3)sc21
InChIInChI=1S/C14H22N2OS2/c1-14(2)6-9(15-3)12-10(7-14)16-13(19-12)11-8-18-5-4-17-11/h9,11,15H,4-8H2,1-3H3
InChIKeyNGBCLANCUPHBQE-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 79969937) is N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(C3CSCCO3)sc21.
What is the InChIKey of N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is NGBCLANCUPHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-14(2)6-9(15-3)12-10(7-14)16-13(19-12)11-8-18-5-4-17-11/h9,11,15H,4-8H2,1-3H3.
What are the key properties of N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 298.48 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 79969937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).