N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

C17H11F3N4OS — CID 18460477

IUPACN-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)13-8-11-14(21-9-10-4-2-1-3-5-10)23-15(24-16(11)26-13)12-6-7-22-25-12/h1-8H,9H2,(H,21,23,24)
InChIKeyVXLIOIFBXREXPD-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.98
Rot. Bonds4

About N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460477) has the molecular formula C17H11F3N4OS and a molecular weight of 376.36 g/mol. Its IUPAC name is N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460477
Molecular FormulaC17H11F3N4OS
Molecular Weight376.36 g/mol
Exact Mass376.06
IUPAC NameN-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C17H11F3N4OS/c18-17(19,20)13-8-11-14(21-9-10-4-2-1-3-5-10)23-15(24-16(11)26-13)12-6-7-22-25-12/h1-8H,9H2,(H,21,23,24)
InChIKeyVXLIOIFBXREXPD-UHFFFAOYSA-N
XLogP4.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460477) is N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VXLIOIFBXREXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4OS/c18-17(19,20)13-8-11-14(21-9-10-4-2-1-3-5-10)23-15(24-16(11)26-13)12-6-7-22-25-12/h1-8H,9H2,(H,21,23,24).
What are the key properties of N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 376.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).