N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine

C20H13FN4S — CID 43968404

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc12
InChIInChI=1S/C20H13FN4S/c21-14-4-3-7-17-18(14)25-20(26-17)22-13-10-8-12(9-11-13)19-23-15-5-1-2-6-16(15)24-19/h1-11H,(H,22,25)(H,23,24)
InChIKeyHHJPGMBBYKHGSV-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.72
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43968404) has the molecular formula C20H13FN4S and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine
PubChem CID43968404
Molecular FormulaC20H13FN4S
Molecular Weight360.42 g/mol
Exact Mass360.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc12
InChIInChI=1S/C20H13FN4S/c21-14-4-3-7-17-18(14)25-20(26-17)22-13-10-8-12(9-11-13)19-23-15-5-1-2-6-16(15)24-19/h1-11H,(H,22,25)(H,23,24)
InChIKeyHHJPGMBBYKHGSV-UHFFFAOYSA-N
XLogP5.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine (CID 43968404) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine is Fc1cccc2sc(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is HHJPGMBBYKHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4S/c21-14-4-3-7-17-18(14)25-20(26-17)22-13-10-8-12(9-11-13)19-23-15-5-1-2-6-16(15)24-19/h1-11H,(H,22,25)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 360.42 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).