4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C18H14FN3OS — CID 166272867

IUPAC4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(c2nc(-c3ccccc3F)cs2)Cc2ccccc2N1
InChIInChI=1S/C18H14FN3OS/c19-14-7-3-2-6-13(14)16-11-24-18(21-16)22-9-12-5-1-4-8-15(12)20-17(23)10-22/h1-8,11H,9-10H2,(H,20,23)
InChIKeyNQTQNZMOVIQIAE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.91
Rot. Bonds2

About 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one

4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 166272867) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID166272867
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(c2nc(-c3ccccc3F)cs2)Cc2ccccc2N1
InChIInChI=1S/C18H14FN3OS/c19-14-7-3-2-6-13(14)16-11-24-18(21-16)22-9-12-5-1-4-8-15(12)20-17(23)10-22/h1-8,11H,9-10H2,(H,20,23)
InChIKeyNQTQNZMOVIQIAE-UHFFFAOYSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 166272867) is 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(c2nc(-c3ccccc3F)cs2)Cc2ccccc2N1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is NQTQNZMOVIQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-14-7-3-2-6-13(14)16-11-24-18(21-16)22-9-12-5-1-4-8-15(12)20-17(23)10-22/h1-8,11H,9-10H2,(H,20,23).
What are the key properties of 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 339.40 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 166272867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).