N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H19F3N4S — CID 133479867

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCc1nsc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1
InChIInChI=1S/C15H19F3N4S/c1-4-13-20-14(23-21-13)19-9-12(22(2)3)10-6-5-7-11(8-10)15(16,17)18/h5-8,12H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyCMJFXRBSHDGJBA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.83
Rot. Bonds6

About N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 133479867) has the molecular formula C15H19F3N4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID133479867
Molecular FormulaC15H19F3N4S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCc1nsc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1
InChIInChI=1S/C15H19F3N4S/c1-4-13-20-14(23-21-13)19-9-12(22(2)3)10-6-5-7-11(8-10)15(16,17)18/h5-8,12H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyCMJFXRBSHDGJBA-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-N'-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479843
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 125438511
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
N,N-dimethyl-N'-(1-phenyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479938
4-N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133479841
(1S)-N'-(2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 124711113
N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
CID 166201585
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 119056801
5-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107647887
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 133479867) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCc1nsc(NCC(c2cccc(C(F)(F)F)c2)N(C)C)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is CMJFXRBSHDGJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4S/c1-4-13-20-14(23-21-13)19-9-12(22(2)3)10-6-5-7-11(8-10)15(16,17)18/h5-8,12H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 344.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 133479867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).