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

C11H16F3N3S — CID 114131141

IUPACN-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N3S/c1-7-3-2-4-8(5-7)6-15-10-16-9(17-18-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyUCWHOGDPEZQCSR-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.80
Rot. Bonds3

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

N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 114131141) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID114131141
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N3S/c1-7-3-2-4-8(5-7)6-15-10-16-9(17-18-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyUCWHOGDPEZQCSR-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 114131141) is N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCCC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UCWHOGDPEZQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7-3-2-4-8(5-7)6-15-10-16-9(17-18-10)11(12,13)14/h7-8H,2-6H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 279.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114131141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).