N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide

C23H23F3N6O2S — CID 87159248

About N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide

N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide (PubChem CID 87159248) has the molecular formula C23H23F3N6O2S and a molecular weight of 504.54 g/mol. Its IUPAC name is N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide.

Molecular Properties

• Compound Name: N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
• PubChem CID: 87159248
• Molecular Formula: C23H23F3N6O2S
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.16
• IUPAC Name: N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
• SMILES: CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2
• InChI: InChI=1S/C23H23F3N6O2S/c1-13(2)28-20(33)16-5-3-4-6-17(16)29-21(34)31-22-30-18-7-8-32(12-19(18)35-22)15-9-14(10-27-11-15)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,28,33)(H2,29,30,31,34)
• InChIKey: MSEIHKVVMVUXMM-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 99.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide (CID 87159248) is N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide.

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

The canonical SMILES for N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2.

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

The InChIKey is MSEIHKVVMVUXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2S/c1-13(2)28-20(33)16-5-3-4-6-17(16)29-21(34)31-22-30-18-7-8-32(12-19(18)35-22)15-9-14(10-27-11-15)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,28,33)(H2,29,30,31,34).

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

N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide has a molecular weight of 504.54 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 87159248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).