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

C12H19F3N2O2S2 — CID 135378211

IUPAC(S)-2-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)N[S@@](=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-ZEDNOMKYSA-N
MW344.42 g/mol
LogP3.51
Rot. Bonds5

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

(S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 135378211) has the molecular formula C12H19F3N2O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID135378211
Molecular FormulaC12H19F3N2O2S2
Molecular Weight344.42 g/mol
Exact Mass344.08
IUPAC Name(S)-2-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)N[S@@](=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-ZEDNOMKYSA-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 (S)-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 (S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (CID 135378211) is (S)-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 (S)-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 (S)-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)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-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-ZEDNOMKYSA-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 (S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
(S)-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 (S)-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 135378211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).