N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

C17H9F2N3OS2 — CID 3587539

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1c(F)cccc1F
InChIInChI=1S/C17H9F2N3OS2/c18-9-4-3-5-10(19)14(9)15(23)22-17-21-12(8-24-17)16-20-11-6-1-2-7-13(11)25-16/h1-8H,(H,21,22,23)
InChIKeyWALRJKWKSTZGHO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.95
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 3587539) has the molecular formula C17H9F2N3OS2 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID3587539
Molecular FormulaC17H9F2N3OS2
Molecular Weight373.41 g/mol
Exact Mass373.02
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1c(F)cccc1F
InChIInChI=1S/C17H9F2N3OS2/c18-9-4-3-5-10(19)14(9)15(23)22-17-21-12(8-24-17)16-20-11-6-1-2-7-13(11)25-16/h1-8H,(H,21,22,23)
InChIKeyWALRJKWKSTZGHO-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 3587539) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1c(F)cccc1F.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The InChIKey is WALRJKWKSTZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS2/c18-9-4-3-5-10(19)14(9)15(23)22-17-21-12(8-24-17)16-20-11-6-1-2-7-13(11)25-16/h1-8H,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 373.41 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 3587539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).