N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C16H13F3N6O2S — CID 166109423

IUPACN-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1cncnc1
InChIInChI=1S/C16H13F3N6O2S/c17-16(18,19)15-23-14(24-27-15)12-3-9-6-25(2-1-11(9)28-12)7-13(26)22-10-4-20-8-21-5-10/h3-5,8H,1-2,6-7H2,(H,22,26)
InChIKeyPYAQBVHGTSYHHG-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.60
Rot. Bonds4

About N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 166109423) has the molecular formula C16H13F3N6O2S and a molecular weight of 410.38 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID166109423
Molecular FormulaC16H13F3N6O2S
Molecular Weight410.38 g/mol
Exact Mass410.08
IUPAC NameN-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILESO=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1cncnc1
InChIInChI=1S/C16H13F3N6O2S/c17-16(18,19)15-23-14(24-27-15)12-3-9-6-25(2-1-11(9)28-12)7-13(26)22-10-4-20-8-21-5-10/h3-5,8H,1-2,6-7H2,(H,22,26)
InChIKeyPYAQBVHGTSYHHG-UHFFFAOYSA-N
XLogP2.60
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The IUPAC name of N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 166109423) is N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1cncnc1.
What is the InChIKey of N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
The InChIKey is PYAQBVHGTSYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2S/c17-16(18,19)15-23-14(24-27-15)12-3-9-6-25(2-1-11(9)28-12)7-13(26)22-10-4-20-8-21-5-10/h3-5,8H,1-2,6-7H2,(H,22,26).
What are the key properties of N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?
N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 410.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 166109423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).