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

C10H14F3N3S — CID 114448235

IUPACN-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c1-6-3-2-4-7(5-6)14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyJWXNZBJBCVAHCB-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.55
Rot. Bonds2

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

N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448235) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448235
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCCC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c1-6-3-2-4-7(5-6)14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyJWXNZBJBCVAHCB-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448235) is N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1CCCC(Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JWXNZBJBCVAHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-3-2-4-7(5-6)14-9-16-15-8(17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).