2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C18H15F2N3S — CID 133477326

IUPAC2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESFc1ccc(-c2nc3c(s2)CCCC3Nc2cccc(F)n2)cc1
InChIInChI=1S/C18H15F2N3S/c19-12-9-7-11(8-10-12)18-23-17-13(3-1-4-14(17)24-18)21-16-6-2-5-15(20)22-16/h2,5-10,13H,1,3-4H2,(H,21,22)
InChIKeyFYFZILFKGPMVGT-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 133477326) has the molecular formula C18H15F2N3S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID133477326
Molecular FormulaC18H15F2N3S
Molecular Weight343.40 g/mol
Exact Mass343.10
IUPAC Name2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESFc1ccc(-c2nc3c(s2)CCCC3Nc2cccc(F)n2)cc1
InChIInChI=1S/C18H15F2N3S/c19-12-9-7-11(8-10-12)18-23-17-13(3-1-4-14(17)24-18)21-16-6-2-5-15(20)22-16/h2,5-10,13H,1,3-4H2,(H,21,22)
InChIKeyFYFZILFKGPMVGT-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-pyrido[2,3-b]pyrazin-6-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 133477422
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 133477344
1-(6-fluoro-2-methyl-3-pyridinyl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
CID 146095750
4-[[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032933
3-[[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133477392
2-(4-fluorophenyl)-N-[(1-methylimidazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 126803267
7-ethyl-2-[[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133477332
2-N-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]-5-nitropyrimidine-2,4-diamine
CID 133477345
1-(2,5-dimethylpyrazol-3-yl)-3-[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]urea
CID 146089566
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzene-1,2-diol
CID 136889181
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 133477326) is 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Fc1ccc(-c2nc3c(s2)CCCC3Nc2cccc(F)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is FYFZILFKGPMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3S/c19-12-9-7-11(8-10-12)18-23-17-13(3-1-4-14(17)24-18)21-16-6-2-5-15(20)22-16/h2,5-10,13H,1,3-4H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 343.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 133477326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).