[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate

C22H22ClF3N4O2S — CID 141259695

About [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate

[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 141259695) has the molecular formula C22H22ClF3N4O2S and a molecular weight of 498.96 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
• PubChem CID: 141259695
• Molecular Formula: C22H22ClF3N4O2S
• Molecular Weight: 498.96 g/mol
• Exact Mass: 498.11
• IUPAC Name: [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate
• SMILES: O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1nc(C(F)(F)F)cs1
• InChI: InChI=1S/C22H22ClF3N4O2S/c23-16-2-3-17-15(11-16)1-4-19(28-17)30-9-6-14(7-10-30)5-8-27-21(31)32-12-20-29-18(13-33-20)22(24,25)26/h1-4,11,13-14H,5-10,12H2,(H,27,31)
• InChIKey: VZFHZYNYVINEBQ-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.96
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?

The IUPAC name of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate (CID 141259695) is [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate.

What is the SMILES notation for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?

The canonical SMILES for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate is O=C(NCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1)OCc1nc(C(F)(F)F)cs1.

What is the InChIKey of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?

The InChIKey is VZFHZYNYVINEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2S/c23-16-2-3-17-15(11-16)1-4-19(28-17)30-9-6-14(7-10-30)5-8-27-21(31)32-12-20-29-18(13-33-20)22(24,25)26/h1-4,11,13-14H,5-10,12H2,(H,27,31).

What are the key properties of [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate?

[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 498.96 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl N-[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 141259695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).