N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C13H19F3N2S — CID 62089213

IUPACN-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C13H19F3N2S/c1-4-17-8-5-12(2,3)6-9-11(8)19-10(18-9)7-13(14,15)16/h8,17H,4-7H2,1-3H3
InChIKeyQTSLZLLXDGRYBH-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.87
Rot. Bonds3

About N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62089213) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62089213
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C13H19F3N2S/c1-4-17-8-5-12(2,3)6-9-11(8)19-10(18-9)7-13(14,15)16/h8,17H,4-7H2,1-3H3
InChIKeyQTSLZLLXDGRYBH-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

Manozodil
CID 72110
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride (1:?)
CID 198580
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059968
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-2-(1-methylethyl)-, hydrochloride
CID 3059970
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-N-(1-methylethyl)-, hydrochloride
CID 3059982
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-butyl-2-methyl-, hydrochloride
CID 3059984
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079696
1-(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-N-methylmethanamine
CID 3059969
N-methyl-1-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
CID 3059971
N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl]propan-2-amine
CID 3059983
N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl]butan-1-amine
CID 3059985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62089213) is N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21.
What is the InChIKey of N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is QTSLZLLXDGRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-4-17-8-5-12(2,3)6-9-11(8)19-10(18-9)7-13(14,15)16/h8,17H,4-7H2,1-3H3.
What are the key properties of N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 292.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62089213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).