N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4S — CID 114450391

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CN)(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H17F3N4S/c1-7-2-4-10(6-15,5-3-7)16-9-18-17-8(19-9)11(12,13)14/h7H,2-6,15H2,1H3,(H,16,18)
InChIKeyGUEDTJANPBVZHB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds3

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

N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114450391) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114450391
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CN)(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H17F3N4S/c1-7-2-4-10(6-15,5-3-7)16-9-18-17-8(19-9)11(12,13)14/h7H,2-6,15H2,1H3,(H,16,18)
InChIKeyGUEDTJANPBVZHB-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 103731084
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105566156
N-[(3-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106128435
3-methyl-3-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,3-diamine
CID 106166056
5-(2-methylpropyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260354
5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260496
5-(2-methylpropyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106261099
1-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 106738173
4-methyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 107159285
5-ethyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107647933
5-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 107647934

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114450391) is N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CCC(CN)(Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GUEDTJANPBVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-7-2-4-10(6-15,5-3-7)16-9-18-17-8(19-9)11(12,13)14/h7H,2-6,15H2,1H3,(H,16,18).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114450391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).