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

C10H14F3N3S — CID 103731084

IUPAC5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H14F3N3S/c1-6-15-16-9(17-6)14-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,16)
InChIKeyXMQMWDMLXMKQFD-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.38
Rot. Bonds2

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

5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103731084) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID103731084
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H14F3N3S/c1-6-15-16-9(17-6)14-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,16)
InChIKeyXMQMWDMLXMKQFD-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 103731084) is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XMQMWDMLXMKQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-15-16-9(17-6)14-8-4-2-3-7(5-8)10(11,12)13/h7-8H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103731084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).