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

C13H20F3N3S — CID 106260496

IUPAC5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C13H20F3N3S/c1-8(2)6-11-18-19-12(20-11)17-10-5-3-4-9(7-10)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyIMTGIKFMWTVDNJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.27
Rot. Bonds4

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

5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 106260496) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID106260496
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC Name5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C13H20F3N3S/c1-8(2)6-11-18-19-12(20-11)17-10-5-3-4-9(7-10)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyIMTGIKFMWTVDNJ-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 106260496) is 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IMTGIKFMWTVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-8(2)6-11-18-19-12(20-11)17-10-5-3-4-9(7-10)13(14,15)16/h8-10H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 307.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).