methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

C19H18ClF3N4O4S — CID 90449759

IUPACmethyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C19H18ClF3N4O4S/c1-30-17(29)26-5-4-18(8-26)9-27(16(28)25-15-24-7-14(20)32-15)13-3-2-11(6-12(13)18)31-10-19(21,22)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,24,25,28)
InChIKeyFKVNIUZVSSMHPQ-UHFFFAOYSA-N
MW490.89 g/mol
LogP4.50
Rot. Bonds3

About methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate

methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 90449759) has the molecular formula C19H18ClF3N4O4S and a molecular weight of 490.89 g/mol. Its IUPAC name is methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID90449759
Molecular FormulaC19H18ClF3N4O4S
Molecular Weight490.89 g/mol
Exact Mass490.07
IUPAC Namemethyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(OCC(F)(F)F)cc12
InChIInChI=1S/C19H18ClF3N4O4S/c1-30-17(29)26-5-4-18(8-26)9-27(16(28)25-15-24-7-14(20)32-15)13-3-2-11(6-12(13)18)31-10-19(21,22)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,24,25,28)
InChIKeyFKVNIUZVSSMHPQ-UHFFFAOYSA-N
XLogP4.50
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate (CID 90449759) is methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCC2(C1)CN(C(=O)Nc1ncc(Cl)s1)c1ccc(OCC(F)(F)F)cc12.
What is the InChIKey of methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is FKVNIUZVSSMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O4S/c1-30-17(29)26-5-4-18(8-26)9-27(16(28)25-15-24-7-14(20)32-15)13-3-2-11(6-12(13)18)31-10-19(21,22)23/h2-3,6-7H,4-5,8-10H2,1H3,(H,24,25,28).
What are the key properties of methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate?
methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 490.89 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-chloro-1,3-thiazol-2-yl)carbamoyl]-5-(2,2,2-trifluoroethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 90449759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).