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

C20H17ClN4O2S — CID 58207897

IUPAC8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H17ClN4O2S/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)
InChIKeyJDZGYBUVIKBUKZ-UHFFFAOYSA-N
MW412.90 g/mol
LogP5.30
Rot. Bonds5

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

8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 58207897) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID58207897
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nc(C(=O)O)cn3c2)s1
InChIInChI=1S/C20H17ClN4O2S/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)
InChIKeyJDZGYBUVIKBUKZ-UHFFFAOYSA-N
XLogP5.30
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.90
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 90338636
CID 90338636
CID 137465004
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CID 58207925
CID 58207925
CID 58207931
CID 58207931
CID 58207942
CID 58207942
CID 58207948
CID 58207948
CID 58207953
CID 58207953
CID 58207974
CID 58207974
CID 58207978
CID 58207978
CID 58207979
CID 58207979
CID 58208023
CID 58208023
CID 68743331
CID 68743331

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 58207897) is 8-(2-chlorophenyl)-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-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)c3nc(C(=O)O)cn3c2)s1.
What is the InChIKey of 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is JDZGYBUVIKBUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/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-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 412.90 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 58207897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).