2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate

C15H13ClF3N3O3S — CID 78903259

About 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate

2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 78903259) has the molecular formula C15H13ClF3N3O3S and a molecular weight of 407.80 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 78903259
• Molecular Formula: C15H13ClF3N3O3S
• Molecular Weight: 407.80 g/mol
• Exact Mass: 407.03
• IUPAC Name: 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
• SMILES: O=C(CNC(=O)OCC(F)(F)F)Nc1ncc(Cc2ccccc2Cl)s1
• InChI: InChI=1S/C15H13ClF3N3O3S/c16-11-4-2-1-3-9(11)5-10-6-20-13(26-10)22-12(23)7-21-14(24)25-8-15(17,18)19/h1-4,6H,5,7-8H2,(H,21,24)(H,20,22,23)
• InChIKey: DGVFYAMQACWQIZ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.80
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate (CID 78903259) is 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCC(F)(F)F)Nc1ncc(Cc2ccccc2Cl)s1.

What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?

The InChIKey is DGVFYAMQACWQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3S/c16-11-4-2-1-3-9(11)5-10-6-20-13(26-10)22-12(23)7-21-14(24)25-8-15(17,18)19/h1-4,6H,5,7-8H2,(H,21,24)(H,20,22,23).

What are the key properties of 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate?

2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 407.80 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoroethyl N-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 78903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).