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

C16H26N2OS — CID 80684193

IUPACN,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3(C)CCCCO3)sc21
InChIInChI=1S/C16H26N2OS/c1-15(2)9-11(17-4)13-12(10-15)18-14(20-13)16(3)7-5-6-8-19-16/h11,17H,5-10H2,1-4H3
InChIKeyUVYVERQSWFZSDQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.79
Rot. Bonds2

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

N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 80684193) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID80684193
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(C3(C)CCCCO3)sc21
InChIInChI=1S/C16H26N2OS/c1-15(2)9-11(17-4)13-12(10-15)18-14(20-13)16(3)7-5-6-8-19-16/h11,17H,5-10H2,1-4H3
InChIKeyUVYVERQSWFZSDQ-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.79
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-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 80684193) is N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(C3(C)CCCCO3)sc21.
What is the InChIKey of N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is UVYVERQSWFZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-15(2)9-11(17-4)13-12(10-15)18-14(20-13)16(3)7-5-6-8-19-16/h11,17H,5-10H2,1-4H3.
What are the key properties of N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 294.46 g/mol, XLogP of 3.79, 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-(2-methyloxan-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 80684193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).