3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile

C17H10FN3OS — CID 10403909

IUPAC3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1
InChIInChI=1S/C17H10FN3OS/c18-14-7-2-1-6-13(14)16(22)15-10-20-17(23-15)21-12-5-3-4-11(8-12)9-19/h1-8,10H,(H,20,21)
InChIKeyRYTJJOHRBJAEGM-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.13
Rot. Bonds4

About 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile

3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile (PubChem CID 10403909) has the molecular formula C17H10FN3OS and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
PubChem CID10403909
Molecular FormulaC17H10FN3OS
Molecular Weight323.35 g/mol
Exact Mass323.05
IUPAC Name3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1
InChIInChI=1S/C17H10FN3OS/c18-14-7-2-1-6-13(14)16(22)15-10-20-17(23-15)21-12-5-3-4-11(8-12)9-19/h1-8,10H,(H,20,21)
InChIKeyRYTJJOHRBJAEGM-UHFFFAOYSA-N
XLogP4.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The IUPAC name of 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile (CID 10403909) is 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The canonical SMILES for 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile is N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1.
What is the InChIKey of 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The InChIKey is RYTJJOHRBJAEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3OS/c18-14-7-2-1-6-13(14)16(22)15-10-20-17(23-15)21-12-5-3-4-11(8-12)9-19/h1-8,10H,(H,20,21).
What are the key properties of 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile?
3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile has a molecular weight of 323.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 10403909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).