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

C9H12F3N3OS — CID 114449681

IUPAC[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-15-7(17-6)13-8(5-16)3-1-2-4-8/h16H,1-5H2,(H,13,15)
InChIKeyFLVZIBOQWOBIRM-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.27
Rot. Bonds3

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

[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol (PubChem CID 114449681) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
PubChem CID114449681
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CCCC1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-15-7(17-6)13-8(5-16)3-1-2-4-8/h16H,1-5H2,(H,13,15)
InChIKeyFLVZIBOQWOBIRM-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-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol (CID 114449681) is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol is OCC1(Nc2nnc(C(F)(F)F)s2)CCCC1.
What is the InChIKey of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The InChIKey is FLVZIBOQWOBIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)6-14-15-7(17-6)13-8(5-16)3-1-2-4-8/h16H,1-5H2,(H,13,15).
What are the key properties of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol 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-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 114449681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).