2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide

C12H19F3N2O2S2 — CID 135378208

IUPAC2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESCc1nc(OCC(F)(F)F)sc1[C@@H](C)NS(=O)C(C)(C)C
InChIInChI=1S/C12H19F3N2O2S2/c1-7-9(8(2)17-21(18)11(3,4)5)20-10(16-7)19-6-12(13,14)15/h8,17H,6H2,1-5H3/t8-,21?/m1/s1
InChIKeyJXGILESCBQPJFQ-LYTZFRAISA-N
MW344.42 g/mol
LogP3.51
Rot. Bonds5

About 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 135378208) has the molecular formula C12H19F3N2O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID135378208
Molecular FormulaC12H19F3N2O2S2
Molecular Weight344.42 g/mol
Exact Mass344.08
IUPAC Name2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESCc1nc(OCC(F)(F)F)sc1[C@@H](C)NS(=O)C(C)(C)C
InChIInChI=1S/C12H19F3N2O2S2/c1-7-9(8(2)17-21(18)11(3,4)5)20-10(16-7)19-6-12(13,14)15/h8,17H,6H2,1-5H3/t8-,21?/m1/s1
InChIKeyJXGILESCBQPJFQ-LYTZFRAISA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (CID 135378208) is 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is Cc1nc(OCC(F)(F)F)sc1[C@@H](C)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is JXGILESCBQPJFQ-LYTZFRAISA-N. The full InChI is InChI=1S/C12H19F3N2O2S2/c1-7-9(8(2)17-21(18)11(3,4)5)20-10(16-7)19-6-12(13,14)15/h8,17H,6H2,1-5H3/t8-,21?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide has a molecular weight of 344.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 135378208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).