(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide

C18H20F3N3OS2 — CID 72723908

IUPAC(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide
SMILESCc1c([C@H](N[S@@](=O)C(C)(C)C)C(F)(F)F)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H20F3N3OS2/c1-11-14(15(18(19,20)21)23-27(25)17(2,3)4)26-16-22-13(10-24(11)16)12-8-6-5-7-9-12/h5-10,15,23H,1-4H3/t15-,27-/m0/s1
InChIKeyGNXIIPIKXAPPEZ-QZXCRCNTSA-N
MW415.51 g/mol
LogP5.03
Rot. Bonds4

About (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide (PubChem CID 72723908) has the molecular formula C18H20F3N3OS2 and a molecular weight of 415.51 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide
PubChem CID72723908
Molecular FormulaC18H20F3N3OS2
Molecular Weight415.51 g/mol
Exact Mass415.10
IUPAC Name(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide
SMILESCc1c([C@H](N[S@@](=O)C(C)(C)C)C(F)(F)F)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H20F3N3OS2/c1-11-14(15(18(19,20)21)23-27(25)17(2,3)4)26-16-22-13(10-24(11)16)12-8-6-5-7-9-12/h5-10,15,23H,1-4H3/t15-,27-/m0/s1
InChIKeyGNXIIPIKXAPPEZ-QZXCRCNTSA-N
XLogP5.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide (CID 72723908) is (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide is Cc1c([C@H](N[S@@](=O)C(C)(C)C)C(F)(F)F)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide?
The InChIKey is GNXIIPIKXAPPEZ-QZXCRCNTSA-N. The full InChI is InChI=1S/C18H20F3N3OS2/c1-11-14(15(18(19,20)21)23-27(25)17(2,3)4)26-16-22-13(10-24(11)16)12-8-6-5-7-9-12/h5-10,15,23H,1-4H3/t15-,27-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1R)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide has a molecular weight of 415.51 g/mol, XLogP of 5.03, 4 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)-2,2,2-trifluoro-1-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 72723908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).