N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C19H20F3N3O2S — CID 60616360

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CN2CCCC2CO1)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)13-4-1-3-12(7-13)18-24-16(11-28-18)17(26)23-8-15-9-25-6-2-5-14(25)10-27-15/h1,3-4,7,11,14-15H,2,5-6,8-10H2,(H,23,26)
InChIKeyQFYKAUYZBMJPIW-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.42
Rot. Bonds4

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 60616360) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID60616360
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CN2CCCC2CO1)c1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)13-4-1-3-12(7-13)18-24-16(11-28-18)17(26)23-8-15-9-25-6-2-5-14(25)10-27-15/h1,3-4,7,11,14-15H,2,5-6,8-10H2,(H,23,26)
InChIKeyQFYKAUYZBMJPIW-UHFFFAOYSA-N
XLogP3.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide 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 N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 60616360) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CN2CCCC2CO1)c1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QFYKAUYZBMJPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c20-19(21,22)13-4-1-3-12(7-13)18-24-16(11-28-18)17(26)23-8-15-9-25-6-2-5-14(25)10-27-15/h1,3-4,7,11,14-15H,2,5-6,8-10H2,(H,23,26).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60616360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).