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

C15H18F3N3OS2 — CID 90451760

IUPAC(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H18F3N3OS2/c1-9(21-24(22)14(2,3)4)11-8-20-13(23-11)10-5-6-19-12(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24+/m0/s1
InChIKeyQLSGESBFHDNRRC-UZKFNYRNSA-N
MW377.46 g/mol
LogP4.34
Rot. Bonds4

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

(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (PubChem CID 90451760) has the molecular formula C15H18F3N3OS2 and a molecular weight of 377.46 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
PubChem CID90451760
Molecular FormulaC15H18F3N3OS2
Molecular Weight377.46 g/mol
Exact Mass377.08
IUPAC Name(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H18F3N3OS2/c1-9(21-24(22)14(2,3)4)11-8-20-13(23-11)10-5-6-19-12(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24+/m0/s1
InChIKeyQLSGESBFHDNRRC-UZKFNYRNSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide (CID 90451760) is (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cnc(-c2ccnc(C(F)(F)F)c2)s1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
The InChIKey is QLSGESBFHDNRRC-UZKFNYRNSA-N. The full InChI is InChI=1S/C15H18F3N3OS2/c1-9(21-24(22)14(2,3)4)11-8-20-13(23-11)10-5-6-19-12(7-10)15(16,17)18/h5-9,21H,1-4H3/t9-,24+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide has a molecular weight of 377.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-[2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 90451760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).