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

C9H12F3N3OS — CID 107305019

IUPAC2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-5-2-1-3-6(5)16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyFRXBVJXXCMSXKS-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.13
Rot. Bonds3

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

2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 107305019) 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]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
PubChem CID107305019
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-5-2-1-3-6(5)16/h5-6,16H,1-4H2,(H,13,14,15)
InChIKeyFRXBVJXXCMSXKS-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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Related Compounds

2-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107304997
{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol
CID 99846980
N-[(2-ethyloxolan-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105742717
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]hexan-1-ol
CID 106115687
3-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 106129284
4-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 106130067
2-Methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 106158371
3-Ethyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
CID 106287854
4-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 106350616
[2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclopentyl]methanol
CID 106362059
1-Cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304946
1-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
CID 107305005

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (CID 107305019) is 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol is OC1CCCC1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is FRXBVJXXCMSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)13-4-5-2-1-3-6(5)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]methyl]cyclopentan-1-ol?
2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 267.28 g/mol, XLogP of 2.13, 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]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107305019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).