2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H16F2N2S — CID 62795811

IUPAC2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccc(F)cc3F)sc21
InChIInChI=1S/C15H16F2N2S/c1-2-18-12-4-3-5-13-14(12)20-15(19-13)10-7-6-9(16)8-11(10)17/h6-8,12,18H,2-5H2,1H3
InChIKeyGUZPTNOIJPOWAL-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.08
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62795811) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62795811
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ccc(F)cc3F)sc21
InChIInChI=1S/C15H16F2N2S/c1-2-18-12-4-3-5-13-14(12)20-15(19-13)10-7-6-9(16)8-11(10)17/h6-8,12,18H,2-5H2,1H3
InChIKeyGUZPTNOIJPOWAL-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 81441838
2-(3-bromo-4-fluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82800740
2-(4-chlorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080069
N-ethyl-2-thiophen-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 55032704
N-ethyl-2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345258
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82740930
N-ethyl-2-(3-ethylimidazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66134215
2-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 107281350
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82790267
2-(6-methyl-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104823158

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62795811) is 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3ccc(F)cc3F)sc21.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is GUZPTNOIJPOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-2-18-12-4-3-5-13-14(12)20-15(19-13)10-7-6-9(16)8-11(10)17/h6-8,12,18H,2-5H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 294.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).