[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid

C6H6F3N3O2S — CID 121397713

IUPAC[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3O2S/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14)/t2-/m1/s1
InChIKeyFOIVJPBVOVLDTM-UWTATZPHSA-N
MW241.19 g/mol
LogP1.89
Rot. Bonds2

About [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid

[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid (PubChem CID 121397713) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid
PubChem CID121397713
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3O2S/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14)/t2-/m1/s1
InChIKeyFOIVJPBVOVLDTM-UWTATZPHSA-N
XLogP1.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid?
The IUPAC name of [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid (CID 121397713) is [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid is C[C@@H](NC(=O)O)c1nnc(C(F)(F)F)s1.
What is the InChIKey of [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid?
The InChIKey is FOIVJPBVOVLDTM-UWTATZPHSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c1-2(10-5(13)14)3-11-12-4(15-3)6(7,8)9/h2,10H,1H3,(H,13,14)/t2-/m1/s1.
What are the key properties of [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid?
[(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid has a molecular weight of 241.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 121397713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).