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

C10H13F3N2O2S — CID 47099172

IUPAC7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCC(F)(F)F)CS2
InChIInChI=1S/C10H13F3N2O2S/c1-9-3-2-7(16)15(9)6(4-18-9)8(17)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17)
InChIKeySDQLNPSSRBEHNY-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.12
Rot. Bonds2

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

7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 47099172) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID47099172
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCC(F)(F)F)CS2
InChIInChI=1S/C10H13F3N2O2S/c1-9-3-2-7(16)15(9)6(4-18-9)8(17)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17)
InChIKeySDQLNPSSRBEHNY-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 47099172) is 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NCC(F)(F)F)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SDQLNPSSRBEHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-9-3-2-7(16)15(9)6(4-18-9)8(17)14-5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17).
What are the key properties of 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(2,2,2-trifluoroethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 47099172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).