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

C7H8F3N3OS — CID 114449781

IUPAC[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)4-12-13-5(15-4)11-6(3-14)1-2-6/h14H,1-3H2,(H,11,13)
InChIKeyMSZDFAVPLPLNEE-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.49
Rot. Bonds3

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

[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol (PubChem CID 114449781) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol
PubChem CID114449781
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol
SMILESOCC1(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)4-12-13-5(15-4)11-6(3-14)1-2-6/h14H,1-3H2,(H,11,13)
InChIKeyMSZDFAVPLPLNEE-UHFFFAOYSA-N
XLogP1.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.49
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]cyclopropyl]methanol?
The IUPAC name of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol (CID 114449781) is [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol?
The canonical SMILES for [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol is OCC1(Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol?
The InChIKey is MSZDFAVPLPLNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)4-12-13-5(15-4)11-6(3-14)1-2-6/h14H,1-3H2,(H,11,13).
What are the key properties of [1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol?
[1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopropyl]methanol has a molecular weight of 239.22 g/mol, XLogP of 1.49, 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]cyclopropyl]methanol is sourced from PubChem (CID 114449781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).