2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide

C19H16F2N4O3S — CID 166792687

IUPAC2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(F)c(F)c1)c1nc(N)c(C(=O)c2ccc(O)cc2)s1
InChIInChI=1S/C19H16F2N4O3S/c1-9(18(23)28)25(11-4-7-13(20)14(21)8-11)19-24-17(22)16(29-19)15(27)10-2-5-12(26)6-3-10/h2-9,26H,22H2,1H3,(H2,23,28)
InChIKeyXHMOJWHBOUQNGZ-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.95
Rot. Bonds6

About 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide

2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide (PubChem CID 166792687) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide.

Molecular Properties

Compound Name2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
PubChem CID166792687
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Name2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(F)c(F)c1)c1nc(N)c(C(=O)c2ccc(O)cc2)s1
InChIInChI=1S/C19H16F2N4O3S/c1-9(18(23)28)25(11-4-7-13(20)14(21)8-11)19-24-17(22)16(29-19)15(27)10-2-5-12(26)6-3-10/h2-9,26H,22H2,1H3,(H2,23,28)
InChIKeyXHMOJWHBOUQNGZ-UHFFFAOYSA-N
XLogP2.95
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The IUPAC name of 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide (CID 166792687) is 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide.
What is the SMILES notation for 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The canonical SMILES for 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide is CC(C(N)=O)N(c1ccc(F)c(F)c1)c1nc(N)c(C(=O)c2ccc(O)cc2)s1.
What is the InChIKey of 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
The InChIKey is XHMOJWHBOUQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c1-9(18(23)28)25(11-4-7-13(20)14(21)8-11)19-24-17(22)16(29-19)15(27)10-2-5-12(26)6-3-10/h2-9,26H,22H2,1H3,(H2,23,28).
What are the key properties of 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide?
2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide has a molecular weight of 418.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide is sourced from PubChem (CID 166792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).