4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C16H15FN4S — CID 141253371

IUPAC4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccccc2F)c(-c2ccnc(N)n2)s1
InChIInChI=1S/C16H15FN4S/c1-9(2)15-21-13(10-5-3-4-6-11(10)17)14(22-15)12-7-8-19-16(18)20-12/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyITAYANYZSFEWDB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 141253371) has the molecular formula C16H15FN4S and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID141253371
Molecular FormulaC16H15FN4S
Molecular Weight314.39 g/mol
Exact Mass314.10
IUPAC Name4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccccc2F)c(-c2ccnc(N)n2)s1
InChIInChI=1S/C16H15FN4S/c1-9(2)15-21-13(10-5-3-4-6-11(10)17)14(22-15)12-7-8-19-16(18)20-12/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyITAYANYZSFEWDB-UHFFFAOYSA-N
XLogP4.11
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-[2-(2-aminopropan-2-yl)-4-[3-[(2,6-difluorophenyl)sulfanylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143891585
4-[2-(2-fluorophenoxy)-3-pyridinyl]pyrimidin-2-amine
CID 141385805
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154958236
N-cyclopropyl-4-[4-(2-fluorophenyl)-2-heptan-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;ethane;ethenoxyethane
CID 143376372
5-(2-aminopyrimidin-4-yl)-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-2-methyl-1,3-thiazole
CID 172569894
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 154957970
2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116897877
4-(2-propan-2-ylsulfonylphenyl)pyrimidin-2-amine
CID 90134190
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 70652006
4-[2-tert-butyl-4-[2-fluoro-3-(1-propylsulfonylpropyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 123990591

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 141253371) is 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is CC(C)c1nc(-c2ccccc2F)c(-c2ccnc(N)n2)s1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is ITAYANYZSFEWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4S/c1-9(2)15-21-13(10-5-3-4-6-11(10)17)14(22-15)12-7-8-19-16(18)20-12/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 141253371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).