(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone

C15H20F3N3OS — CID 140929189

IUPAC(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C15H20F3N3OS/c1-9(2)20-7-10-3-4-11(8-20)21(10)14(22)12-6-19-13(23-12)5-15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyRXVDLUFTXJOEQC-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.95
Rot. Bonds3

About (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone

(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 140929189) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
PubChem CID140929189
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C15H20F3N3OS/c1-9(2)20-7-10-3-4-11(8-20)21(10)14(22)12-6-19-13(23-12)5-15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyRXVDLUFTXJOEQC-UHFFFAOYSA-N
XLogP2.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[(3S)-3-methyl-4-(2-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 60311992
(2-Propyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 71929554
(2-Cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 86796249
5-[(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 129269336
5-[(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 129269423
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone
CID 129269848
5-[(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 129270150
5-[(3-Butan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444380
3,8-Dimethyl-3,8-diazabicyclo[3.2.1]octane;ethane;2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carbaldehyde
CID 145332387
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120810578
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120810579
2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120812400

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone (CID 140929189) is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone is CC(C)N1CC2CCC(C1)N2C(=O)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RXVDLUFTXJOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c1-9(2)20-7-10-3-4-11(8-20)21(10)14(22)12-6-19-13(23-12)5-15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone?
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 347.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 140929189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).