[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine

C10H15F3N4S — CID 114449918

IUPAC[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N4S/c1-6-2-3-7(4-14)5-17(6)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyNGIHGJVHEZPKMS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds2

About [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine

[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine (PubChem CID 114449918) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine
PubChem CID114449918
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N4S/c1-6-2-3-7(4-14)5-17(6)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyNGIHGJVHEZPKMS-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine (CID 114449918) is [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine is CC1CCC(CN)CN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine?
The InChIKey is NGIHGJVHEZPKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-6-2-3-7(4-14)5-17(6)9-16-15-8(18-9)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine?
[6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114449918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).