3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine

C10H14F3N3S — CID 133333839

IUPAC3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3S/c1-6-14-9(17-16-6)15-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyWJZRTIZFMVRGEH-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.38
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133333839) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
PubChem CID133333839
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3S/c1-6-14-9(17-16-6)15-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyWJZRTIZFMVRGEH-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 103703272
6-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75414039
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
CID 103894653
N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319574
N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
CID 107588030
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 75414193
N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304996
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (CID 133333839) is 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is WJZRTIZFMVRGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-14-9(17-16-6)15-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 265.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133333839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).