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

C11H17F3N4S — CID 114449982

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCCC1(CN)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-7-4-2-3-5-10(7,6-15)16-9-18-17-8(19-9)11(12,13)14/h7H,2-6,15H2,1H3,(H,16,18)
InChIKeyNIUUUSDKQLFNAB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds3

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449982) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449982
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCCC1(CN)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-7-4-2-3-5-10(7,6-15)16-9-18-17-8(19-9)11(12,13)14/h7H,2-6,15H2,1H3,(H,16,18)
InChIKeyNIUUUSDKQLFNAB-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449982) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CCCCC1(CN)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NIUUUSDKQLFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-7-4-2-3-5-10(7,6-15)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)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(aminomethyl)-2-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)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).