N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C22H24N4O2S2 — CID 112793389

About N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 112793389) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 112793389
• Molecular Formula: C22H24N4O2S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.13
• IUPAC Name: N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: CCN1CCc2nc(NC(=O)C(Cc3ccccc3)NC(=O)c3cccs3)sc2C1
• InChI: InChI=1S/C22H24N4O2S2/c1-2-26-11-10-16-19(14-26)30-22(24-16)25-20(27)17(13-15-7-4-3-5-8-15)23-21(28)18-9-6-12-29-18/h3-9,12,17H,2,10-11,13-14H2,1H3,(H,23,28)(H,24,25,27)
• InChIKey: WCSLIKZEIYMHPE-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 112793389) is N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCN1CCc2nc(NC(=O)C(Cc3ccccc3)NC(=O)c3cccs3)sc2C1.

What is the InChIKey of N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is WCSLIKZEIYMHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-2-26-11-10-16-19(14-26)30-22(24-16)25-20(27)17(13-15-7-4-3-5-8-15)23-21(28)18-9-6-12-29-18/h3-9,12,17H,2,10-11,13-14H2,1H3,(H,23,28)(H,24,25,27).

What are the key properties of N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 112793389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).