N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide

C12H19F3N2O2S — CID 43698434

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C12H19F3N2O2S/c13-12(14,15)6-19-9-3-1-2-8(4-9)17-11(18)10-5-20-7-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyYUQXOWZXQRUTMN-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.66
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43698434) has the molecular formula C12H19F3N2O2S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43698434
Molecular FormulaC12H19F3N2O2S
Molecular Weight312.36 g/mol
Exact Mass312.11
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C12H19F3N2O2S/c13-12(14,15)6-19-9-3-1-2-8(4-9)17-11(18)10-5-20-7-16-10/h8-10,16H,1-7H2,(H,17,18)
InChIKeyYUQXOWZXQRUTMN-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide (CID 43698434) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)C1CSCN1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YUQXOWZXQRUTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2S/c13-12(14,15)6-19-9-3-1-2-8(4-9)17-11(18)10-5-20-7-16-10/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43698434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).