(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide

C15H16F2N2OS2 — CID 90451740

IUPAC(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cnc(-c2ccc(C(F)F)cc2)s1
InChIInChI=1S/C15H16F2N2OS2/c1-15(2,3)22(20)19-9-12-8-18-14(21-12)11-6-4-10(5-7-11)13(16)17/h4-9,13H,1-3H3/b19-9+/t22-/m1/s1
InChIKeyNSAVZEXNKACHOQ-IKIAWEHASA-N
MW342.44 g/mol
LogP4.63
Rot. Bonds4

About (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 90451740) has the molecular formula C15H16F2N2OS2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID90451740
Molecular FormulaC15H16F2N2OS2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cnc(-c2ccc(C(F)F)cc2)s1
InChIInChI=1S/C15H16F2N2OS2/c1-15(2,3)22(20)19-9-12-8-18-14(21-12)11-6-4-10(5-7-11)13(16)17/h4-9,13H,1-3H3/b19-9+/t22-/m1/s1
InChIKeyNSAVZEXNKACHOQ-IKIAWEHASA-N
XLogP4.63
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 90451740) is (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1cnc(-c2ccc(C(F)F)cc2)s1.
What is the InChIKey of (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is NSAVZEXNKACHOQ-IKIAWEHASA-N. The full InChI is InChI=1S/C15H16F2N2OS2/c1-15(2,3)22(20)19-9-12-8-18-14(21-12)11-6-4-10(5-7-11)13(16)17/h4-9,13H,1-3H3/b19-9+/t22-/m1/s1.
What are the key properties of (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 342.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[[2-[4-(difluoromethyl)phenyl]-1,3-thiazol-5-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90451740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).