N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H13F3N4S — CID 104973473

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC[C@@H]2CCCN2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-5-3-6-2-1-4-13-6/h6,13H,1-5H2,(H,14,16)/t6-/m0/s1
InChIKeyUACKUSWGRFJJFK-LURJTMIESA-N
MW266.29 g/mol
LogP2.11
Rot. Bonds4

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104973473) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104973473
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCC[C@@H]2CCCN2)s1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-5-3-6-2-1-4-13-6/h6,13H,1-5H2,(H,14,16)/t6-/m0/s1
InChIKeyUACKUSWGRFJJFK-LURJTMIESA-N
XLogP2.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104973473) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCC[C@@H]2CCCN2)s1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UACKUSWGRFJJFK-LURJTMIESA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-15-16-8(17-7)14-5-3-6-2-1-4-13-6/h6,13H,1-5H2,(H,14,16)/t6-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104973473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).