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

C10H14F3N3OS — CID 107305746

IUPAC1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c1-16(6-9(17)4-2-3-5-9)8-14-7(15-18-8)10(11,12)13/h17H,2-6H2,1H3
InChIKeyPHNDLAARELGUIS-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.30
Rot. Bonds3

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

1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 107305746) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
PubChem CID107305746
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3OS/c1-16(6-9(17)4-2-3-5-9)8-14-7(15-18-8)10(11,12)13/h17H,2-6H2,1H3
InChIKeyPHNDLAARELGUIS-UHFFFAOYSA-N
XLogP2.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol (CID 107305746) is 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is PHNDLAARELGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-16(6-9(17)4-2-3-5-9)8-14-7(15-18-8)10(11,12)13/h17H,2-6H2,1H3.
What are the key properties of 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 107305746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).