2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide

C23H27N7O5S — CID 87159278

About 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide

2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide (PubChem CID 87159278) has the molecular formula C23H27N7O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
• PubChem CID: 87159278
• Molecular Formula: C23H27N7O5S
• Molecular Weight: 513.58 g/mol
• Exact Mass: 513.18
• IUPAC Name: 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
• SMILES: COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N[C@@H](C)CO)sc3C2)nc(OC)n1
• InChI: InChI=1S/C23H27N7O5S/c1-13(12-31)24-20(32)14-6-4-5-7-15(14)25-21(33)29-23-26-16-8-9-30(11-17(16)36-23)18-10-19(34-2)28-22(27-18)35-3/h4-7,10,13,31H,8-9,11-12H2,1-3H3,(H,24,32)(H2,25,26,29,33)/t13-/m0/s1
• InChIKey: WNBHZLDBOSQFTA-ZDUSSCGKSA-N
• XLogP: 2.27
• TPSA: 150.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.58
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide?

The IUPAC name of 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide (CID 87159278) is 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide?

The canonical SMILES for 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide is COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)N[C@@H](C)CO)sc3C2)nc(OC)n1.

What is the InChIKey of 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide?

The InChIKey is WNBHZLDBOSQFTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H27N7O5S/c1-13(12-31)24-20(32)14-6-4-5-7-15(14)25-21(33)29-23-26-16-8-9-30(11-17(16)36-23)18-10-19(34-2)28-22(27-18)35-3/h4-7,10,13,31H,8-9,11-12H2,1-3H3,(H,24,32)(H2,25,26,29,33)/t13-/m0/s1.

What are the key properties of 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide?

2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 513.58 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 87159278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).