6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C17H19FN6S — CID 12009823

IUPAC6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H19FN6S/c1-10(12-9-25-13(21-12)11-7-5-4-6-8-11)20-16-23-14(17(2,3)18)22-15(19)24-16/h4-10H,1-3H3,(H3,19,20,22,23,24)
InChIKeyGAMHUXONINUXMJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.95
Rot. Bonds5

About 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 12009823) has the molecular formula C17H19FN6S and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID12009823
Molecular FormulaC17H19FN6S
Molecular Weight358.45 g/mol
Exact Mass358.14
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H19FN6S/c1-10(12-9-25-13(21-12)11-7-5-4-6-8-11)20-16-23-14(17(2,3)18)22-15(19)24-16/h4-10H,1-3H3,(H3,19,20,22,23,24)
InChIKeyGAMHUXONINUXMJ-UHFFFAOYSA-N
XLogP3.95
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 12009823) is 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(C)(C)F)n1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GAMHUXONINUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6S/c1-10(12-9-25-13(21-12)11-7-5-4-6-8-11)20-16-23-14(17(2,3)18)22-15(19)24-16/h4-10H,1-3H3,(H3,19,20,22,23,24).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12009823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).