8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C20H17FN4O2S — CID 58208023

IUPAC8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H17FN4O2S/c1-11(2)23-20-22-8-17(28-20)12-7-14(13-5-3-4-6-15(13)21)18-24-16(19(26)27)10-25(18)9-12/h3-11H,1-2H3,(H,22,23)(H,26,27)
InChIKeyBIVOSYJVPRKJHE-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.78
Rot. Bonds5

About 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 58208023) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID58208023
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H17FN4O2S/c1-11(2)23-20-22-8-17(28-20)12-7-14(13-5-3-4-6-15(13)21)18-24-16(19(26)27)10-25(18)9-12/h3-11H,1-2H3,(H,22,23)(H,26,27)
InChIKeyBIVOSYJVPRKJHE-UHFFFAOYSA-N
XLogP4.78
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 58208023) is 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)Nc1ncc(-c2cc(-c3ccccc3F)c3nc(C(=O)O)cn3c2)s1.
What is the InChIKey of 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is BIVOSYJVPRKJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-11(2)23-20-22-8-17(28-20)12-7-14(13-5-3-4-6-15(13)21)18-24-16(19(26)27)10-25(18)9-12/h3-11H,1-2H3,(H,22,23)(H,26,27).
What are the key properties of 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 396.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 58208023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).