N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C10H15F3N4S — CID 60856321

IUPACN-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2csnn2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-17-2-1-8(5-17)3-14-4-9-6-18-16-15-9/h6,8,14H,1-5,7H2
InChIKeyYGLARGNVKNKGLG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.51
Rot. Bonds5

About N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 60856321) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID60856321
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2csnn2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-17-2-1-8(5-17)3-14-4-9-6-18-16-15-9/h6,8,14H,1-5,7H2
InChIKeyYGLARGNVKNKGLG-UHFFFAOYSA-N
XLogP1.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-1-amine
CID 115516077
5,5,5-trifluoro-N-(thiadiazol-4-ylmethyl)pentan-1-amine
CID 115516815
N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115907154
[(2S,4R)-4-fluoro-1-(thiadiazol-4-ylmethyl)pyrrolidin-2-yl]methanamine
CID 130668391
2,2-difluoro-N-(thiadiazol-4-ylmethyl)cyclopentan-1-amine
CID 131086463
(3-Methylbutyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663872
[(1-Ethylpyrrolidin-2-yl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663932
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664002
2-N,2-N,3-trimethyl-1-N-(thiadiazol-4-ylmethyl)butane-1,2-diamine
CID 43664040

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 60856321) is N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is FC(F)(F)CN1CCC(CNCc2csnn2)C1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YGLARGNVKNKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)7-17-2-1-8(5-17)3-14-4-9-6-18-16-15-9/h6,8,14H,1-5,7H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 60856321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).