2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid

C10H12F3N3O2S — CID 107304375

IUPAC2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-4-5-2-1-3-6(5)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyOVBBFHFVZWQRGP-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.47
Rot. Bonds4

About 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107304375) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107304375
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-4-5-2-1-3-6(5)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyOVBBFHFVZWQRGP-UHFFFAOYSA-N
XLogP2.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid (CID 107304375) is 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OVBBFHFVZWQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)8-15-9(19-16-8)14-4-5-2-1-3-6(5)7(17)18/h5-6H,1-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107304375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).