2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole

C8H5F3N4OS — CID 91011396

IUPAC2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole
SMILESCOc1nc(-c2nncs2)ncc1C(F)(F)F
InChIInChI=1S/C8H5F3N4OS/c1-16-6-4(8(9,10)11)2-12-5(14-6)7-15-13-3-17-7/h2-3H,1H3
InChIKeySOUPEJWLPFBCRT-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.02
Rot. Bonds2

About 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole

2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole (PubChem CID 91011396) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole
PubChem CID91011396
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC Name2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole
SMILESCOc1nc(-c2nncs2)ncc1C(F)(F)F
InChIInChI=1S/C8H5F3N4OS/c1-16-6-4(8(9,10)11)2-12-5(14-6)7-15-13-3-17-7/h2-3H,1H3
InChIKeySOUPEJWLPFBCRT-UHFFFAOYSA-N
XLogP2.02
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole (CID 91011396) is 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole is COc1nc(-c2nncs2)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole?
The InChIKey is SOUPEJWLPFBCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c1-16-6-4(8(9,10)11)2-12-5(14-6)7-15-13-3-17-7/h2-3H,1H3.
What are the key properties of 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole?
2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole has a molecular weight of 262.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 91011396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).