3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide

C16H16N6OS — CID 95123356

IUPAC3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1cn2ccccc2n1)c1cn2ncsc2n1
InChIInChI=1S/C16H16N6OS/c1-11(13-9-22-16(20-13)24-10-17-22)18-15(23)6-5-12-8-21-7-3-2-4-14(21)19-12/h2-4,7-11H,5-6H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeyBQZLPHGQRLTFFX-NSHDSACASA-N
MW340.41 g/mol
LogP2.25
Rot. Bonds5

About 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide

3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide (PubChem CID 95123356) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide
PubChem CID95123356
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1cn2ccccc2n1)c1cn2ncsc2n1
InChIInChI=1S/C16H16N6OS/c1-11(13-9-22-16(20-13)24-10-17-22)18-15(23)6-5-12-8-21-7-3-2-4-14(21)19-12/h2-4,7-11H,5-6H2,1H3,(H,18,23)/t11-/m0/s1
InChIKeyBQZLPHGQRLTFFX-NSHDSACASA-N
XLogP2.25
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 50979857
3-imidazo[1,2-a]pyridin-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 74247075
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
CID 119062039
3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60839321
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 74230031
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
3-imidazo[1,2-a]pyridin-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 56716306
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide (CID 95123356) is 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide is C[C@H](NC(=O)CCc1cn2ccccc2n1)c1cn2ncsc2n1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide?
The InChIKey is BQZLPHGQRLTFFX-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N6OS/c1-11(13-9-22-16(20-13)24-10-17-22)18-15(23)6-5-12-8-21-7-3-2-4-14(21)19-12/h2-4,7-11H,5-6H2,1H3,(H,18,23)/t11-/m0/s1.
What are the key properties of 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide?
3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide has a molecular weight of 340.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide is sourced from PubChem (CID 95123356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).