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

C10H12F3N3O2S — CID 114449450

IUPAC1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15-16-8(19-6)14-5-9(7(17)18)3-1-2-4-9/h1-5H2,(H,14,16)(H,17,18)
InChIKeySZUDOIWBQSVYOA-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.61
Rot. Bonds4

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

1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 114449450) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID114449450
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15-16-8(19-6)14-5-9(7(17)18)3-1-2-4-9/h1-5H2,(H,14,16)(H,17,18)
InChIKeySZUDOIWBQSVYOA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid (CID 114449450) is 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNc2nnc(C(F)(F)F)s2)CCCC1.
What is the InChIKey of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SZUDOIWBQSVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)6-15-16-8(19-6)14-5-9(7(17)18)3-1-2-4-9/h1-5H2,(H,14,16)(H,17,18).
What are the key properties of 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114449450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).