8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C20H16F2N4O2S — CID 58207978

IUPAC8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H16F2N4O2S/c1-10(2)24-20-23-7-17(29-20)11-5-14(13-4-3-12(21)6-15(13)22)18-25-16(19(27)28)9-26(18)8-11/h3-10H,1-2H3,(H,23,24)(H,27,28)
InChIKeyLMWSFJKWMYRNKH-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.92
Rot. Bonds5

About 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 58207978) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID58207978
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H16F2N4O2S/c1-10(2)24-20-23-7-17(29-20)11-5-14(13-4-3-12(21)6-15(13)22)18-25-16(19(27)28)9-26(18)8-11/h3-10H,1-2H3,(H,23,24)(H,27,28)
InChIKeyLMWSFJKWMYRNKH-UHFFFAOYSA-N
XLogP4.92
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 58207978) is 8-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)Nc1ncc(-c2cc(-c3ccc(F)cc3F)c3nc(C(=O)O)cn3c2)s1.
What is the InChIKey of 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is LMWSFJKWMYRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-10(2)24-20-23-7-17(29-20)11-5-14(13-4-3-12(21)6-15(13)22)18-25-16(19(27)28)9-26(18)8-11/h3-10H,1-2H3,(H,23,24)(H,27,28).
What are the key properties of 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 58207978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).