4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C15H14FN5S2 — CID 154954780

IUPAC4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCSNc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F
InChIInChI=1S/C15H14FN5S2/c1-8-19-13(9-4-3-5-10(12(9)16)21-22-2)14(23-8)11-6-7-18-15(17)20-11/h3-7,21H,1-2H3,(H2,17,18,20)
InChIKeySAYDNSGGDZHJDQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.99
Rot. Bonds4

About 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 154954780) has the molecular formula C15H14FN5S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID154954780
Molecular FormulaC15H14FN5S2
Molecular Weight347.44 g/mol
Exact Mass347.07
IUPAC Name4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCSNc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F
InChIInChI=1S/C15H14FN5S2/c1-8-19-13(9-4-3-5-10(12(9)16)21-22-2)14(23-8)11-6-7-18-15(17)20-11/h3-7,21H,1-2H3,(H2,17,18,20)
InChIKeySAYDNSGGDZHJDQ-UHFFFAOYSA-N
XLogP3.99
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
CID 172569894
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]propane-1-sulfonamide
CID 70652006
4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143891441
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-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfinamide
CID 166975832
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154958236
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-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
CID 169078522
N-[3-[2-bromo-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 67996796
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
4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 141253371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 154954780) is 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is CSNc1cccc(-c2nc(C)sc2-c2ccnc(N)n2)c1F.
What is the InChIKey of 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is SAYDNSGGDZHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5S2/c1-8-19-13(9-4-3-5-10(12(9)16)21-22-2)14(23-8)11-6-7-18-15(17)20-11/h3-7,21H,1-2H3,(H2,17,18,20).
What are the key properties of 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 154954780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).