7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

C13H9FN2OS — CID 10467784

IUPAC7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)
InChIKeyKYAAEHKCLYGUJO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.68
Rot. Bonds1

About 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 10467784) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID10467784
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17)
InChIKeyKYAAEHKCLYGUJO-UHFFFAOYSA-N
XLogP2.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 10467784) is 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2cccs2)c2cc(F)ccc2N1.
What is the InChIKey of 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is KYAAEHKCLYGUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-8-3-4-10-9(6-8)13(11-2-1-5-18-11)15-7-12(17)16-10/h1-6H,7H2,(H,16,17).
What are the key properties of 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-thiophen-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 10467784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).