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

C8H11F3N4S — CID 114449985

IUPAC[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(15)4-12/h5H,1-4,12H2
InChIKeyKVSLTSLJYIHKCV-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.48
Rot. Bonds2

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

[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine (PubChem CID 114449985) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
PubChem CID114449985
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(15)4-12/h5H,1-4,12H2
InChIKeyKVSLTSLJYIHKCV-UHFFFAOYSA-N
XLogP1.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405928
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
2-N-methyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
CID 102639728
N'-cyclobutyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 102874842
(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
CID 102986633
4-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
CID 103577437
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973473
2-[(3R)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 104976127
2-[(3S)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 104977574

Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine (CID 114449985) is [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine?
The InChIKey is KVSLTSLJYIHKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(15)4-12/h5H,1-4,12H2.
What are the key properties of [1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine?
[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine has a molecular weight of 252.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 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]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 114449985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).