7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H15FN2S — CID 79624951

IUPAC7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1ccc(C2CCCc3nc(N)sc32)cc1F
InChIInChI=1S/C14H15FN2S/c1-8-5-6-9(7-11(8)15)10-3-2-4-12-13(10)18-14(16)17-12/h5-7,10H,2-4H2,1H3,(H2,16,17)
InChIKeyFGSLEWRYABEAPW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.64
Rot. Bonds1

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

7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 79624951) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID79624951
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCc1ccc(C2CCCc3nc(N)sc32)cc1F
InChIInChI=1S/C14H15FN2S/c1-8-5-6-9(7-11(8)15)10-3-2-4-12-13(10)18-14(16)17-12/h5-7,10H,2-4H2,1H3,(H2,16,17)
InChIKeyFGSLEWRYABEAPW-UHFFFAOYSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79632651
7-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625621
7-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625169
7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 107622754
7-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 115564801
7-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625918
6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79632340
7-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 104727929
6-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 79632646
7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 162743847
7-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79626367
7-(2,4,6-tribromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625093

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 79624951) is 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Cc1ccc(C2CCCc3nc(N)sc32)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is FGSLEWRYABEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-8-5-6-9(7-11(8)15)10-3-2-4-12-13(10)18-14(16)17-12/h5-7,10H,2-4H2,1H3,(H2,16,17).
What are the key properties of 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 262.35 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79624951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).