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

C22H21ClN4O2S — CID 58208028

IUPACethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C22H21ClN4O2S/c1-4-29-21(28)18-12-27-11-14(19-10-24-22(30-19)25-13(2)3)9-16(20(27)26-18)15-7-5-6-8-17(15)23/h5-13H,4H2,1-3H3,(H,24,25)
InChIKeyIQFIZIKBSHEKPF-UHFFFAOYSA-N
MW440.96 g/mol
LogP5.78
Rot. Bonds6

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

ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58208028) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58208028
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC Nameethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccccc3Cl)c2n1
InChIInChI=1S/C22H21ClN4O2S/c1-4-29-21(28)18-12-27-11-14(19-10-24-22(30-19)25-13(2)3)9-16(20(27)26-18)15-7-5-6-8-17(15)23/h5-13H,4H2,1-3H3,(H,24,25)
InChIKeyIQFIZIKBSHEKPF-UHFFFAOYSA-N
XLogP5.78
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.96
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 58208028) is ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(NC(C)C)s3)cc(-c3ccccc3Cl)c2n1.
What is the InChIKey of ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IQFIZIKBSHEKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c1-4-29-21(28)18-12-27-11-14(19-10-24-22(30-19)25-13(2)3)9-16(20(27)26-18)15-7-5-6-8-17(15)23/h5-13H,4H2,1-3H3,(H,24,25).
What are the key properties of ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 440.96 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58208028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).