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

C14H21F3N2S — CID 62090793

IUPAC5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C14H21F3N2S/c1-4-5-18-9-6-13(2,3)7-10-12(9)20-11(19-10)8-14(15,16)17/h9,18H,4-8H2,1-3H3
InChIKeyDGUCHIVAFVPSPO-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.26
Rot. Bonds4

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

5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62090793) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62090793
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21
InChIInChI=1S/C14H21F3N2S/c1-4-5-18-9-6-13(2,3)7-10-12(9)20-11(19-10)8-14(15,16)17/h9,18H,4-8H2,1-3H3
InChIKeyDGUCHIVAFVPSPO-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62090793) is 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCCNC1CC(C)(C)Cc2nc(CC(F)(F)F)sc21.
What is the InChIKey of 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is DGUCHIVAFVPSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-4-5-18-9-6-13(2,3)7-10-12(9)20-11(19-10)8-14(15,16)17/h9,18H,4-8H2,1-3H3.
What are the key properties of 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 306.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62090793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).