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

C11H16F3N3S — CID 104924771

IUPACN-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C11H16F3N3S/c1-10(5-3-2-4-6-10)7-15-9-17-16-8(18-9)11(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyDXJOEDUPDUSFTH-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.94
Rot. Bonds3

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

N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104924771) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104924771
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C11H16F3N3S/c1-10(5-3-2-4-6-10)7-15-9-17-16-8(18-9)11(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyDXJOEDUPDUSFTH-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104924771) is N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1(CNc2nnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DXJOEDUPDUSFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-10(5-3-2-4-6-10)7-15-9-17-16-8(18-9)11(12,13)14/h2-7H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104924771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).