N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H13F3N4S — CID 115907154

IUPACN'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCc1csnn1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-15(6-8(9,10)11)3-2-12-4-7-5-16-14-13-7/h5,12H,2-4,6H2,1H3
InChIKeyRZUUAZKMIJRCFO-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.12
Rot. Bonds6

About N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 115907154) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID115907154
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC NameN'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNCc1csnn1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-15(6-8(9,10)11)3-2-12-4-7-5-16-14-13-7/h5,12H,2-4,6H2,1H3
InChIKeyRZUUAZKMIJRCFO-UHFFFAOYSA-N
XLogP1.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 164641599
2,2,2-trifluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663781
N-(thiadiazol-4-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856321
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
4-[[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 75506972
2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 103529554
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 104862604
N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210983
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-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 115907154) is N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNCc1csnn1)CC(F)(F)F.
What is the InChIKey of N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RZUUAZKMIJRCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-15(6-8(9,10)11)3-2-12-4-7-5-16-14-13-7/h5,12H,2-4,6H2,1H3.
What are the key properties of N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 254.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(thiadiazol-4-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 115907154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).