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

C10H14F3N3OS — CID 107305020

IUPAC[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-4-6-2-1-3-7(6)5-17/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyYKUODIQUAYNJHR-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.38
Rot. Bonds4

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

[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 107305020) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol
PubChem CID107305020
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-4-6-2-1-3-7(6)5-17/h6-7,17H,1-5H2,(H,14,15,16)
InChIKeyYKUODIQUAYNJHR-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.38
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]cyclopentyl]methanol?
The IUPAC name of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol (CID 107305020) is [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol is OCC1CCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is YKUODIQUAYNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)14-4-6-2-1-3-7(6)5-17/h6-7,17H,1-5H2,(H,14,15,16).
What are the key properties of [2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 281.30 g/mol, XLogP of 2.38, 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]cyclopentyl]methanol is sourced from PubChem (CID 107305020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).