3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H19N5O3S2 — CID 84569514

IUPAC3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1nc2ccccn2c1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N5O3S2/c1-14-17(25-12-3-2-4-18(25)22-14)9-10-19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-21-11-13-29-20/h2-8,11-13H,9-10H2,1H3,(H,21,24)(H,23,26)
InChIKeyTVRBXOSLPQVFNN-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.47
Rot. Bonds7

About 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 84569514) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID84569514
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC Name3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1nc2ccccn2c1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N5O3S2/c1-14-17(25-12-3-2-4-18(25)22-14)9-10-19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-21-11-13-29-20/h2-8,11-13H,9-10H2,1H3,(H,21,24)(H,23,26)
InChIKeyTVRBXOSLPQVFNN-UHFFFAOYSA-N
XLogP3.47
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 84569514) is 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is Cc1nc2ccccn2c1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is TVRBXOSLPQVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c1-14-17(25-12-3-2-4-18(25)22-14)9-10-19(26)23-15-5-7-16(8-6-15)30(27,28)24-20-21-11-13-29-20/h2-8,11-13H,9-10H2,1H3,(H,21,24)(H,23,26).
What are the key properties of 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 441.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 84569514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).