1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol

C9H12F3N3OS — CID 107305005

IUPAC1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)13-5-8(16)3-1-2-4-8/h16H,1-5H2,(H,13,14,15)
InChIKeyGKFOCKPZZTVHJQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.27
Rot. Bonds3

About 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol

1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 107305005) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
PubChem CID107305005
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nc(C(F)(F)F)ns2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)13-5-8(16)3-1-2-4-8/h16H,1-5H2,(H,13,14,15)
InChIKeyGKFOCKPZZTVHJQ-UHFFFAOYSA-N
XLogP2.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (CID 107305005) is 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol is OC1(CNc2nc(C(F)(F)F)ns2)CCCC1.
What is the InChIKey of 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is GKFOCKPZZTVHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-7(17-15-6)13-5-8(16)3-1-2-4-8/h16H,1-5H2,(H,13,14,15).
What are the key properties of 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107305005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).