2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C19H11F6N5S — CID 44569643

IUPAC2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4C(F)(F)F)nc23)cc1
InChIInChI=1S/C19H11F6N5S/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H,29,30)(H,26,27,28)
InChIKeyXQHGCQQMUHLUAG-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.61
Rot. Bonds4

About 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 44569643) has the molecular formula C19H11F6N5S and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID44569643
Molecular FormulaC19H11F6N5S
Molecular Weight455.39 g/mol
Exact Mass455.06
IUPAC Name2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4C(F)(F)F)nc23)cc1
InChIInChI=1S/C19H11F6N5S/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H,29,30)(H,26,27,28)
InChIKeyXQHGCQQMUHLUAG-UHFFFAOYSA-N
XLogP6.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 44569643) is 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4C(F)(F)F)nc23)cc1.
What is the InChIKey of 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is XQHGCQQMUHLUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N5S/c20-18(21,22)10-5-7-11(8-6-10)28-15-14-16(27-9-26-15)31-17(30-14)29-13-4-2-1-3-12(13)19(23,24)25/h1-9H,(H,29,30)(H,26,27,28).
What are the key properties of 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 455.39 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(trifluoromethyl)phenyl]-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 44569643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).