2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid

C19H17FN4O6S2 — CID 162757136

IUPAC2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid
SMILESCOC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(C(=O)NCC(=O)O)cc3F)n2)s1
InChIInChI=1S/C19H17FN4O6S2/c1-8-16(32-14(23-8)5-22-19(29)30-2)12-7-31-18(24-12)9-4-13(25)10(3-11(9)20)17(28)21-6-15(26)27/h3-4,7,25H,5-6H2,1-2H3,(H,21,28)(H,22,29)(H,26,27)
InChIKeyVOWIFYQAYOGDLI-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.76
Rot. Bonds7

About 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid

2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid (PubChem CID 162757136) has the molecular formula C19H17FN4O6S2 and a molecular weight of 480.50 g/mol. Its IUPAC name is 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid
PubChem CID162757136
Molecular FormulaC19H17FN4O6S2
Molecular Weight480.50 g/mol
Exact Mass480.06
IUPAC Name2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid
SMILESCOC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(C(=O)NCC(=O)O)cc3F)n2)s1
InChIInChI=1S/C19H17FN4O6S2/c1-8-16(32-14(23-8)5-22-19(29)30-2)12-7-31-18(24-12)9-4-13(25)10(3-11(9)20)17(28)21-6-15(26)27/h3-4,7,25H,5-6H2,1-2H3,(H,21,28)(H,22,29)(H,26,27)
InChIKeyVOWIFYQAYOGDLI-UHFFFAOYSA-N
XLogP2.76
TPSA150.74 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid (CID 162757136) is 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid is COC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(C(=O)NCC(=O)O)cc3F)n2)s1.
What is the InChIKey of 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid?
The InChIKey is VOWIFYQAYOGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O6S2/c1-8-16(32-14(23-8)5-22-19(29)30-2)12-7-31-18(24-12)9-4-13(25)10(3-11(9)20)17(28)21-6-15(26)27/h3-4,7,25H,5-6H2,1-2H3,(H,21,28)(H,22,29)(H,26,27).
What are the key properties of 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid?
2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid has a molecular weight of 480.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-hydroxy-4-[4-[2-[(methoxycarbonylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]benzoyl]amino]acetic acid is sourced from PubChem (CID 162757136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).