4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid

C20H15FN4O4S2 — CID 162757015

IUPAC4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(COc2cccc(N)n2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H15FN4O4S2/c1-9-18(31-17(23-9)7-29-16-4-2-3-15(22)25-16)13-8-30-19(24-13)10-6-14(26)11(20(27)28)5-12(10)21/h2-6,8,26H,7H2,1H3,(H2,22,25)(H,27,28)
InChIKeyBMRHUVAFDZQROX-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.34
Rot. Bonds6

About 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid

4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid (PubChem CID 162757015) has the molecular formula C20H15FN4O4S2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid
PubChem CID162757015
Molecular FormulaC20H15FN4O4S2
Molecular Weight458.50 g/mol
Exact Mass458.05
IUPAC Name4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(COc2cccc(N)n2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1
InChIInChI=1S/C20H15FN4O4S2/c1-9-18(31-17(23-9)7-29-16-4-2-3-15(22)25-16)13-8-30-19(24-13)10-6-14(26)11(20(27)28)5-12(10)21/h2-6,8,26H,7H2,1H3,(H2,22,25)(H,27,28)
InChIKeyBMRHUVAFDZQROX-UHFFFAOYSA-N
XLogP4.34
TPSA131.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic 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 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid (CID 162757015) is 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid is Cc1nc(COc2cccc(N)n2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1.
What is the InChIKey of 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid?
The InChIKey is BMRHUVAFDZQROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S2/c1-9-18(31-17(23-9)7-29-16-4-2-3-15(22)25-16)13-8-30-19(24-13)10-6-14(26)11(20(27)28)5-12(10)21/h2-6,8,26H,7H2,1H3,(H2,22,25)(H,27,28).
What are the key properties of 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid?
4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid has a molecular weight of 458.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(6-amino-2-pyridinyl)oxymethyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-5-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 162757015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).