[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol

C9H12F3N3OS — CID 106362059

IUPAC[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-6-3-1-2-5(6)4-16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyLJRCSBMDRHSABM-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.13
Rot. Bonds3

About [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol

[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol (PubChem CID 106362059) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol
PubChem CID106362059
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-6-3-1-2-5(6)4-16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyLJRCSBMDRHSABM-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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]cyclopentyl]methanol?
The IUPAC name of [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol (CID 106362059) is [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol is OCC1CCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol?
The InChIKey is LJRCSBMDRHSABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-6-3-1-2-5(6)4-16/h5-6,16H,1-4H2,(H,13,14,15).
What are the key properties of [2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol?
[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol has a molecular weight of 267.28 g/mol, XLogP of 2.13, 3 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]cyclopentyl]methanol is sourced from PubChem (CID 106362059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).