cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate

C27H27F3N8O4S — CID 142704996

About cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate

cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate (PubChem CID 142704996) has the molecular formula C27H27F3N8O4S and a molecular weight of 616.63 g/mol. Its IUPAC name is cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
• PubChem CID: 142704996
• Molecular Formula: C27H27F3N8O4S
• Molecular Weight: 616.63 g/mol
• Exact Mass: 616.18
• IUPAC Name: cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
• SMILES: CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(CNC(=O)OC4CCCCC4)o3)c2)cn1
• InChI: InChI=1S/C27H27F3N8O4S/c1-2-32-25(39)36-21-9-18(24-35-20(14-43-24)27(28,29)30)19(12-33-21)15-8-16(11-31-10-15)23-38-37-22(42-23)13-34-26(40)41-17-6-4-3-5-7-17/h8-12,14,17H,2-7,13H2,1H3,(H,34,40)(H2,32,33,36,39)
• InChIKey: LXUUPESXCOOPTN-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 157.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.63
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?

The IUPAC name of cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate (CID 142704996) is cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate.

What is the SMILES notation for cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?

The canonical SMILES for cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate is CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cncc(-c3nnc(CNC(=O)OC4CCCCC4)o3)c2)cn1.

What is the InChIKey of cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?

The InChIKey is LXUUPESXCOOPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O4S/c1-2-32-25(39)36-21-9-18(24-35-20(14-43-24)27(28,29)30)19(12-33-21)15-8-16(11-31-10-15)23-38-37-22(42-23)13-34-26(40)41-17-6-4-3-5-7-17/h8-12,14,17H,2-7,13H2,1H3,(H,34,40)(H2,32,33,36,39).

What are the key properties of cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?

cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate has a molecular weight of 616.63 g/mol, XLogP of 6.04, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl N-[[5-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 142704996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).