N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H22F3N3O3S — CID 24980065

IUPACN-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C19H22F3N3O3S/c1-3-24(17(28)14-11-29-18(2)9-8-16(27)25(14)18)10-15(26)23-13-7-5-4-6-12(13)19(20,21)22/h4-7,14H,3,8-11H2,1-2H3,(H,23,26)
InChIKeyFGWIRGNEJNSCEJ-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24980065) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24980065
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C19H22F3N3O3S/c1-3-24(17(28)14-11-29-18(2)9-8-16(27)25(14)18)10-15(26)23-13-7-5-4-6-12(13)19(20,21)22/h4-7,14H,3,8-11H2,1-2H3,(H,23,26)
InChIKeyFGWIRGNEJNSCEJ-UHFFFAOYSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24980065) is N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FGWIRGNEJNSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-3-24(17(28)14-11-29-18(2)9-8-16(27)25(14)18)10-15(26)23-13-7-5-4-6-12(13)19(20,21)22/h4-7,14H,3,8-11H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7a-methyl-5-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24980065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).