1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol

C12H13F3N4OS — CID 138013529

IUPAC1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(CC1(O)CCC1)c1ncnc2sc(C(F)(F)F)nc12
InChIInChI=1S/C12H13F3N4OS/c1-19(5-11(20)3-2-4-11)8-7-9(17-6-16-8)21-10(18-7)12(13,14)15/h6,20H,2-5H2,1H3
InChIKeyXFFHRQBEIXCGPQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.46
Rot. Bonds3

About 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol

1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 138013529) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol
PubChem CID138013529
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol
SMILESCN(CC1(O)CCC1)c1ncnc2sc(C(F)(F)F)nc12
InChIInChI=1S/C12H13F3N4OS/c1-19(5-11(20)3-2-4-11)8-7-9(17-6-16-8)21-10(18-7)12(13,14)15/h6,20H,2-5H2,1H3
InChIKeyXFFHRQBEIXCGPQ-UHFFFAOYSA-N
XLogP2.46
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol (CID 138013529) is 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol is CN(CC1(O)CCC1)c1ncnc2sc(C(F)(F)F)nc12.
What is the InChIKey of 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is XFFHRQBEIXCGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-19(5-11(20)3-2-4-11)8-7-9(17-6-16-8)21-10(18-7)12(13,14)15/h6,20H,2-5H2,1H3.
What are the key properties of 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol?
1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 318.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 138013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).