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

C10H14F3N3OS — CID 99700162

IUPAC[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
SMILESC[C@]1(CO)CCC[C@@H]1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-9(5-17)4-2-3-6(9)14-8-16-15-7(18-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,16)/t6-,9+/m0/s1
InChIKeyXHEOLPRAQKZSON-IMTBSYHQSA-N
MW281.30 g/mol
LogP2.52
Rot. Bonds3

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

[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol (PubChem CID 99700162) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
PubChem CID99700162
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
SMILESC[C@]1(CO)CCC[C@@H]1Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-9(5-17)4-2-3-6(9)14-8-16-15-7(18-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,16)/t6-,9+/m0/s1
InChIKeyXHEOLPRAQKZSON-IMTBSYHQSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol (CID 99700162) is [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol is C[C@]1(CO)CCC[C@@H]1Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
The InChIKey is XHEOLPRAQKZSON-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-9(5-17)4-2-3-6(9)14-8-16-15-7(18-8)10(11,12)13/h6,17H,2-5H2,1H3,(H,14,16)/t6-,9+/m0/s1.
What are the key properties of [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol?
[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol has a molecular weight of 281.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 99700162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).