5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C17H14F2N4O2S — CID 59849656

IUPAC5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCc3cccc(OC(F)F)c3)s2)n1
InChIInChI=1S/C17H14F2N4O2S/c18-16(19)25-11-3-1-2-10(8-11)9-22-15(24)14-5-4-13(26-14)12-6-7-21-17(20)23-12/h1-8,16H,9H2,(H,22,24)(H2,20,21,23)
InChIKeyTVQJGGPEJIBUMR-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.32
Rot. Bonds6

About 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 59849656) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID59849656
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCc3cccc(OC(F)F)c3)s2)n1
InChIInChI=1S/C17H14F2N4O2S/c18-16(19)25-11-3-1-2-10(8-11)9-22-15(24)14-5-4-13(26-14)12-6-7-21-17(20)23-12/h1-8,16H,9H2,(H,22,24)(H2,20,21,23)
InChIKeyTVQJGGPEJIBUMR-UHFFFAOYSA-N
XLogP3.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 59849656) is 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)NCc3cccc(OC(F)F)c3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is TVQJGGPEJIBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c18-16(19)25-11-3-1-2-10(8-11)9-22-15(24)14-5-4-13(26-14)12-6-7-21-17(20)23-12/h1-8,16H,9H2,(H,22,24)(H2,20,21,23).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-[[3-(difluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59849656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).