4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one

C10H12F3N3OS — CID 107304544

IUPAC4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCC(=O)CC1
InChIInChI=1S/C10H12F3N3OS/c1-16(6-2-4-7(17)5-3-6)9-14-8(15-18-9)10(11,12)13/h6H,2-5H2,1H3
InChIKeyBBYPBTYEAFTUCS-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.50
Rot. Bonds2

About 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one

4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one (PubChem CID 107304544) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one
PubChem CID107304544
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCC(=O)CC1
InChIInChI=1S/C10H12F3N3OS/c1-16(6-2-4-7(17)5-3-6)9-14-8(15-18-9)10(11,12)13/h6H,2-5H2,1H3
InChIKeyBBYPBTYEAFTUCS-UHFFFAOYSA-N
XLogP2.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one (CID 107304544) is 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one is CN(c1nc(C(F)(F)F)ns1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one?
The InChIKey is BBYPBTYEAFTUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-16(6-2-4-7(17)5-3-6)9-14-8(15-18-9)10(11,12)13/h6H,2-5H2,1H3.
What are the key properties of 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one?
4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one has a molecular weight of 279.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one is sourced from PubChem (CID 107304544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).