2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C17H17F3N6S — CID 59646453

IUPAC2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C17H17F3N6S/c18-17(19,20)12-7-6-11(8-21-12)24-14-13-15(23-9-22-14)27-16(26-13)25-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,25,26)(H,22,23,24)
InChIKeyHHQBTUVTRFVYBE-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.99
Rot. Bonds4

About 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 59646453) has the molecular formula C17H17F3N6S and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID59646453
Molecular FormulaC17H17F3N6S
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C17H17F3N6S/c18-17(19,20)12-7-6-11(8-21-12)24-14-13-15(23-9-22-14)27-16(26-13)25-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,25,26)(H,22,23,24)
InChIKeyHHQBTUVTRFVYBE-UHFFFAOYSA-N
XLogP4.99
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 25263294
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CID 126534285
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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 59646453) is 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2ncnc3sc(NC4CCCCC4)nc23)cn1.
What is the InChIKey of 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is HHQBTUVTRFVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6S/c18-17(19,20)12-7-6-11(8-21-12)24-14-13-15(23-9-22-14)27-16(26-13)25-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,25,26)(H,22,23,24).
What are the key properties of 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 394.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 59646453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).