4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine

C14H11FN4OS2 — CID 15604480

IUPAC4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCS(=O)c1nccc(-c2sc(N)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN4OS2/c1-22(20)14-17-7-6-10(18-14)12-11(19-13(16)21-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,16,19)
InChIKeyMLJKAUAQYHVMRH-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.73
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine

4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 15604480) has the molecular formula C14H11FN4OS2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID15604480
Molecular FormulaC14H11FN4OS2
Molecular Weight334.40 g/mol
Exact Mass334.04
IUPAC Name4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCS(=O)c1nccc(-c2sc(N)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN4OS2/c1-22(20)14-17-7-6-10(18-14)12-11(19-13(16)21-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,16,19)
InChIKeyMLJKAUAQYHVMRH-UHFFFAOYSA-N
XLogP2.73
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dabrafenib
CID 44462760
Dabrafenib Mesylate
CID 44516822
Stf-62247
CID 704473
Asnuciclib
CID 71561915
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
Aminothiazole 5
CID 5329387
Aminothiazole 6
CID 5329388
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 15604480) is 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine is CS(=O)c1nccc(-c2sc(N)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is MLJKAUAQYHVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS2/c1-22(20)14-17-7-6-10(18-14)12-11(19-13(16)21-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H2,16,19).
What are the key properties of 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 334.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15604480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).