4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine

C11H17F3N4S — CID 114449952

IUPAC4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine
SMILESCCN(c1nnc(C(F)(F)F)s1)C1CCC(N)CC1
InChIInChI=1S/C11H17F3N4S/c1-2-18(8-5-3-7(15)4-6-8)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyGQMOHTOLZAPUSN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.65
Rot. Bonds3

About 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine (PubChem CID 114449952) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine
PubChem CID114449952
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine
SMILESCCN(c1nnc(C(F)(F)F)s1)C1CCC(N)CC1
InChIInChI=1S/C11H17F3N4S/c1-2-18(8-5-3-7(15)4-6-8)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyGQMOHTOLZAPUSN-UHFFFAOYSA-N
XLogP2.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
CID 114449317
4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79111698
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112132
4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112426
N,N-dimethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130557653
2-[(1,1-dioxothiolan-3-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetic acid
CID 114449314
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79111618
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 133492289
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619723
4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79115479

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine (CID 114449952) is 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine is CCN(c1nnc(C(F)(F)F)s1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine?
The InChIKey is GQMOHTOLZAPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-18(8-5-3-7(15)4-6-8)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3.
What are the key properties of 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine has a molecular weight of 294.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 114449952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).