(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide

C12H17FN4OS2 — CID 168853606

IUPAC(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C12H17FN4OS2/c1-8(16-20(18)12(2,3)4)10-7-19-11(15-10)17-6-9(13)5-14-17/h5-8,16H,1-4H3/t8-,20+/m0/s1
InChIKeyXPFXZPLJNIKJAJ-FFVOIRBGSA-N
MW316.43 g/mol
LogP2.58
Rot. Bonds4

About (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 168853606) has the molecular formula C12H17FN4OS2 and a molecular weight of 316.43 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID168853606
Molecular FormulaC12H17FN4OS2
Molecular Weight316.43 g/mol
Exact Mass316.08
IUPAC Name(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C12H17FN4OS2/c1-8(16-20(18)12(2,3)4)10-7-19-11(15-10)17-6-9(13)5-14-17/h5-8,16H,1-4H3/t8-,20+/m0/s1
InChIKeyXPFXZPLJNIKJAJ-FFVOIRBGSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazole, 2-(4-aminopyrazol-1-yl)-4-methyl-
CID 206686
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)cyclopropanesulfonamide
CID 71802254
(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 168853536
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-5-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853566
(NE,R)-N-[1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 168853568
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 170039658
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
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-ethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
CID 112423991

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 168853606) is (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1csc(-n2cc(F)cn2)n1.
What is the InChIKey of (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XPFXZPLJNIKJAJ-FFVOIRBGSA-N. The full InChI is InChI=1S/C12H17FN4OS2/c1-8(16-20(18)12(2,3)4)10-7-19-11(15-10)17-6-9(13)5-14-17/h5-8,16H,1-4H3/t8-,20+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 316.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 168853606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).