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

C8H10F3N3OS — CID 107305073

IUPAC[1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-6(16-14-5)12-3-7(4-15)1-2-7/h15H,1-4H2,(H,12,13,14)
InChIKeyWMOQAHIWUCMPAU-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.74
Rot. Bonds4

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

[1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 107305073) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol
PubChem CID107305073
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name[1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-6(16-14-5)12-3-7(4-15)1-2-7/h15H,1-4H2,(H,12,13,14)
InChIKeyWMOQAHIWUCMPAU-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol (CID 107305073) is [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol is OCC1(CNc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is WMOQAHIWUCMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)5-13-6(16-14-5)12-3-7(4-15)1-2-7/h15H,1-4H2,(H,12,13,14).
What are the key properties of [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 253.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 107305073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).