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

C9H13F3N4S — CID 104973071

IUPACN-[2-[(2R)-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-/m1/s1
InChIKeyUACKUSWGRFJJFK-ZCFIWIBFSA-N
MW266.29 g/mol
LogP2.11
Rot. Bonds4

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

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104973071) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104973071
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[2-[(2R)-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-/m1/s1
InChIKeyUACKUSWGRFJJFK-ZCFIWIBFSA-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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Related Compounds

3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215
N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448451
N-[(1,1-dioxothiolan-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448757
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619723
N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448389
2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 119936088
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazol-4-amine
CID 103568889
N',N'-di(propan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448079
3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
CID 130315688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104973071) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-[(2R)-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-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UACKUSWGRFJJFK-ZCFIWIBFSA-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-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[2-[(2R)-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-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104973071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).