[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone

C20H15FN4O3S — CID 168771303

IUPAC[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C20H15FN4O3S/c21-13-6-8-14(9-7-13)23-20-24-19(22)18(29-20)17(26)15-10-16(25-28-15)27-11-12-4-2-1-3-5-12/h1-10H,11,22H2,(H,23,24)
InChIKeyMJKQZRUSMFTDLP-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.41
Rot. Bonds7

About [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone

[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (PubChem CID 168771303) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
PubChem CID168771303
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
SMILESNc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C20H15FN4O3S/c21-13-6-8-14(9-7-13)23-20-24-19(22)18(29-20)17(26)15-10-16(25-28-15)27-11-12-4-2-1-3-5-12/h1-10H,11,22H2,(H,23,24)
InChIKeyMJKQZRUSMFTDLP-UHFFFAOYSA-N
XLogP4.41
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone (CID 168771303) is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is Nc1nc(Nc2ccc(F)cc2)sc1C(=O)c1cc(OCc2ccccc2)no1.
What is the InChIKey of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
The InChIKey is MJKQZRUSMFTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-13-6-8-14(9-7-13)23-20-24-19(22)18(29-20)17(26)15-10-16(25-28-15)27-11-12-4-2-1-3-5-12/h1-10H,11,22H2,(H,23,24).
What are the key properties of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone?
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone has a molecular weight of 410.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 168771303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).