5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole

C17H19FN6O2S2 — CID 172569894

IUPAC5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
SMILESCCN(C)S(=O)(=O)Nc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F
InChIInChI=1S/C17H19FN6O2S2/c1-4-24(3)28(25,26)23-12-7-5-6-11(14(12)18)15-16(27-10(2)21-15)13-8-9-20-17(19)22-13/h5-9,23H,4H2,1-3H3,(H2,19,20,22)
InChIKeyYSHJSZNISPDSTC-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.91
Rot. Bonds6

About 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole

5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole (PubChem CID 172569894) has the molecular formula C17H19FN6O2S2 and a molecular weight of 422.51 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
PubChem CID172569894
Molecular FormulaC17H19FN6O2S2
Molecular Weight422.51 g/mol
Exact Mass422.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
SMILESCCN(C)S(=O)(=O)Nc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F
InChIInChI=1S/C17H19FN6O2S2/c1-4-24(3)28(25,26)23-12-7-5-6-11(14(12)18)15-16(27-10(2)21-15)13-8-9-20-17(19)22-13/h5-9,23H,4H2,1-3H3,(H2,19,20,22)
InChIKeyYSHJSZNISPDSTC-UHFFFAOYSA-N
XLogP2.91
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 154954780
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 70652006
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(2-piperidin-4-ylpropan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;hydrochloride
CID 178178745
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide
CID 154954605
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154958236
tert-butyl 4-[4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 172570400
N-[3-[2-bromo-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 172570310
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154957970
N-[3-[2-bromo-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 67996796
4-[2-tert-butyl-4-[2-fluoro-3-(1-propylsulfonylpropyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 123990591
4-[2-(2-aminopropan-2-yl)-4-[3-[(2,6-difluorophenyl)sulfanylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143891585
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfinamide
CID 166975832

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole (CID 172569894) is 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole is CCN(C)S(=O)(=O)Nc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole?
The InChIKey is YSHJSZNISPDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2S2/c1-4-24(3)28(25,26)23-12-7-5-6-11(14(12)18)15-16(27-10(2)21-15)13-8-9-20-17(19)22-13/h5-9,23H,4H2,1-3H3,(H2,19,20,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole?
5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole has a molecular weight of 422.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 172569894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).