N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

C16H23F3N4OS — CID 126807723

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)s1
InChIInChI=1S/C16H23F3N4OS/c1-10(2)8-12-21-22-13(25-12)20-14(24)23-7-4-11(16(17,18)19)15(9-23)5-3-6-15/h10-11H,3-9H2,1-2H3,(H,20,22,24)
InChIKeyTYMVKAVQCNNRQC-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.32
Rot. Bonds3

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 126807723) has the molecular formula C16H23F3N4OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID126807723
Molecular FormulaC16H23F3N4OS
Molecular Weight376.45 g/mol
Exact Mass376.15
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)s1
InChIInChI=1S/C16H23F3N4OS/c1-10(2)8-12-21-22-13(25-12)20-14(24)23-7-4-11(16(17,18)19)15(9-23)5-3-6-15/h10-11H,3-9H2,1-2H3,(H,20,22,24)
InChIKeyTYMVKAVQCNNRQC-UHFFFAOYSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 106262196
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
(3S,4S)-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074009
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 106262326
2,2,2-trifluoroethyl 4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 18132707
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056
3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 103821976
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (CID 126807723) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is CC(C)Cc1nnc(NC(=O)N2CCC(C(F)(F)F)C3(CCC3)C2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is TYMVKAVQCNNRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4OS/c1-10(2)8-12-21-22-13(25-12)20-14(24)23-7-4-11(16(17,18)19)15(9-23)5-3-6-15/h10-11H,3-9H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 126807723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).