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

C9H12F3N3OS — CID 102786812

IUPAC[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(C(F)(F)F)s2)C1CO
InChIInChI=1S/C9H12F3N3OS/c1-5-2-3-15(6(5)4-16)8-14-13-7(17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyCWQGPRXZQPZWCQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.76
Rot. Bonds2

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

[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 102786812) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
PubChem CID102786812
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nnc(C(F)(F)F)s2)C1CO
InChIInChI=1S/C9H12F3N3OS/c1-5-2-3-15(6(5)4-16)8-14-13-7(17-8)9(10,11)12/h5-6,16H,2-4H2,1H3
InChIKeyCWQGPRXZQPZWCQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol (CID 102786812) is [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol is CC1CCN(c2nnc(C(F)(F)F)s2)C1CO.
What is the InChIKey of [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is CWQGPRXZQPZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-5-2-3-15(6(5)4-16)8-14-13-7(17-8)9(10,11)12/h5-6,16H,2-4H2,1H3.
What are the key properties of [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 267.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).