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

C15H13FN2S — CID 44550347

IUPAC2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2S/c1-18(2)12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3
InChIKeyIEZDEOYLTJBRHY-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.17
Rot. Bonds2

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

2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine (PubChem CID 44550347) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine
PubChem CID44550347
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2S/c1-18(2)12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3
InChIKeyIEZDEOYLTJBRHY-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine (CID 44550347) is 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine is CN(C)c1ccc2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine?
The InChIKey is IEZDEOYLTJBRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-18(2)12-7-8-13-14(9-12)19-15(17-13)10-3-5-11(16)6-4-10/h3-9H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine?
2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine has a molecular weight of 272.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 44550347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).