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

C15H24N2OS — CID 62387018

IUPACN,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3CCOCC3)sc21
InChIInChI=1S/C15H24N2OS/c1-15(2)8-11(16-3)13-12(9-15)17-14(19-13)10-4-6-18-7-5-10/h10-11,16H,4-9H2,1-3H3
InChIKeyJUTMYVJQQNNFDQ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.27
Rot. Bonds2

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

N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62387018) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62387018
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3CCOCC3)sc21
InChIInChI=1S/C15H24N2OS/c1-15(2)8-11(16-3)13-12(9-15)17-14(19-13)10-4-6-18-7-5-10/h10-11,16H,4-9H2,1-3H3
InChIKeyJUTMYVJQQNNFDQ-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62387018) is N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(C3CCOCC3)sc21.
What is the InChIKey of N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is JUTMYVJQQNNFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2)8-11(16-3)13-12(9-15)17-14(19-13)10-4-6-18-7-5-10/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 280.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).