6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine

C19H16FN3OS — CID 24755476

IUPAC6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1
InChIInChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
InChIKeyFQYJTHIYAQQJAB-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.58
Rot. Bonds4

About 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine

6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 24755476) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID24755476
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1
InChIInChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
InChIKeyFQYJTHIYAQQJAB-UHFFFAOYSA-N
XLogP5.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine (CID 24755476) is 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1.
What is the InChIKey of 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is FQYJTHIYAQQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine?
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 353.42 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 24755476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).