2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide

C19H17FN4O2S — CID 166792585

IUPAC2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1cccc(F)c1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17FN4O2S/c1-11(18(22)26)24(14-9-5-8-13(20)10-14)19-23-17(21)16(27-19)15(25)12-6-3-2-4-7-12/h2-11H,21H2,1H3,(H2,22,26)
InChIKeyRXBGEGXPSHDEKU-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.11
Rot. Bonds6

About 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide

2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide (PubChem CID 166792585) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide
PubChem CID166792585
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1cccc(F)c1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17FN4O2S/c1-11(18(22)26)24(14-9-5-8-13(20)10-14)19-23-17(21)16(27-19)15(25)12-6-3-2-4-7-12/h2-11H,21H2,1H3,(H2,22,26)
InChIKeyRXBGEGXPSHDEKU-UHFFFAOYSA-N
XLogP3.11
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide?
The IUPAC name of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide (CID 166792585) is 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide.
What is the SMILES notation for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide?
The canonical SMILES for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide is CC(C(N)=O)N(c1cccc(F)c1)c1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide?
The InChIKey is RXBGEGXPSHDEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-11(18(22)26)24(14-9-5-8-13(20)10-14)19-23-17(21)16(27-19)15(25)12-6-3-2-4-7-12/h2-11H,21H2,1H3,(H2,22,26).
What are the key properties of 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide?
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide is sourced from PubChem (CID 166792585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).