(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide

C12H15FN4OS2 — CID 168853566

IUPAC(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C12H15FN4OS2/c1-8(16-20(18)12(2,3)4)10-6-14-11(19-10)17-7-9(13)5-15-17/h5-7H,1-4H3/b16-8+/t20-/m1/s1
InChIKeyIYHKLGOWIUVDIM-MOWFPQLSSA-N
MW314.41 g/mol
LogP2.74
Rot. Bonds3

About (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 168853566) has the molecular formula C12H15FN4OS2 and a molecular weight of 314.41 g/mol. Its IUPAC name is (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID168853566
Molecular FormulaC12H15FN4OS2
Molecular Weight314.41 g/mol
Exact Mass314.07
IUPAC Name(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)s1
InChIInChI=1S/C12H15FN4OS2/c1-8(16-20(18)12(2,3)4)10-6-14-11(19-10)17-7-9(13)5-15-17/h5-7H,1-4H3/b16-8+/t20-/m1/s1
InChIKeyIYHKLGOWIUVDIM-MOWFPQLSSA-N
XLogP2.74
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853568
(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 168853606
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 168853617
4-Ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
CID 170039715
Tert-butyl-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylideneamino]-oxidosulfanium
CID 174090474
tert-butyl-[[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]amino]-oxidosulfanium
CID 174090478
Tert-butyl-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylideneamino]-oxidosulfanium
CID 174090480
(R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 178465892
5-Ethyl-2-pyrazol-1-yl-1,3-thiazole
CID 157887091
2-(4-Bromopyrazol-1-yl)-5-ethyl-1,3-thiazole
CID 158183929
5-Ethyl-2-(4-propan-2-ylpyrazol-1-yl)-1,3-thiazole
CID 160063875
5-Ethyl-N-[(1-methylpyrazol-4-YL)methyl]-1,3-thiazol-2-amine
CID 86790641

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 168853566) is (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)s1.
What is the InChIKey of (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is IYHKLGOWIUVDIM-MOWFPQLSSA-N. The full InChI is InChI=1S/C12H15FN4OS2/c1-8(16-20(18)12(2,3)4)10-6-14-11(19-10)17-7-9(13)5-15-17/h5-7H,1-4H3/b16-8+/t20-/m1/s1.
What are the key properties of (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 314.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 168853566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).