2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine

C14H11FN2S — CID 16733863

IUPAC2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine
SMILESCNc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H11FN2S/c1-16-11-6-7-12-13(8-11)18-14(17-12)9-2-4-10(15)5-3-9/h2-8,16H,1H3
InChIKeySINPCKKOBGRTRC-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine

2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine (PubChem CID 16733863) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine
PubChem CID16733863
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine
SMILESCNc1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H11FN2S/c1-16-11-6-7-12-13(8-11)18-14(17-12)9-2-4-10(15)5-3-9/h2-8,16H,1H3
InChIKeySINPCKKOBGRTRC-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine (CID 16733863) is 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine is CNc1ccc2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine?
The InChIKey is SINPCKKOBGRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-16-11-6-7-12-13(8-11)18-14(17-12)9-2-4-10(15)5-3-9/h2-8,16H,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine?
2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine has a molecular weight of 258.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 16733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).