2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole

C9H6F3N3S — CID 139463100

IUPAC2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccnc(Cc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2
InChIKeyFGZUIAXRTIPNFC-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.54
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole

2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole (PubChem CID 139463100) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
PubChem CID139463100
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccnc(Cc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2
InChIKeyFGZUIAXRTIPNFC-UHFFFAOYSA-N
XLogP2.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole (CID 139463100) is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole is FC(F)(F)c1ccnc(Cc2nncs2)c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
The InChIKey is FGZUIAXRTIPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)6-1-2-13-7(3-6)4-8-15-14-5-16-8/h1-3,5H,4H2.
What are the key properties of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole?
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole has a molecular weight of 245.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 139463100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).