4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

C17H19N5S — CID 46942434

IUPAC4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(C(N)Cc3ccccc3)cs2)n1
InChIInChI=1S/C17H19N5S/c1-11-8-12(2)20-16(19-11)22-17-21-15(10-23-17)14(18)9-13-6-4-3-5-7-13/h3-8,10,14H,9,18H2,1-2H3,(H,19,20,21,22)
InChIKeyAYLJSCLIAYRGAF-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.54
Rot. Bonds5

About 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46942434) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46942434
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(C(N)Cc3ccccc3)cs2)n1
InChIInChI=1S/C17H19N5S/c1-11-8-12(2)20-16(19-11)22-17-21-15(10-23-17)14(18)9-13-6-4-3-5-7-13/h3-8,10,14H,9,18H2,1-2H3,(H,19,20,21,22)
InChIKeyAYLJSCLIAYRGAF-UHFFFAOYSA-N
XLogP3.54
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46942434) is 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1cc(C)nc(Nc2nc(C(N)Cc3ccccc3)cs2)n1.
What is the InChIKey of 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is AYLJSCLIAYRGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-11-8-12(2)20-16(19-11)22-17-21-15(10-23-17)14(18)9-13-6-4-3-5-7-13/h3-8,10,14H,9,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 325.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46942434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).