[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone

C14H15F2N5O2S — CID 167759481

IUPAC[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC2CCCC(C1)N2c1nnc(C(F)F)o1
InChIInChI=1S/C14H15F2N5O2S/c15-11(16)12-18-19-14(23-12)21-8-2-1-3-9(21)6-20(5-8)13(22)10-4-17-7-24-10/h4,7-9,11H,1-3,5-6H2
InChIKeySJZBVRNVVYXQFC-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.35
Rot. Bonds3

About [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone

[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 167759481) has the molecular formula C14H15F2N5O2S and a molecular weight of 355.37 g/mol. Its IUPAC name is [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID167759481
Molecular FormulaC14H15F2N5O2S
Molecular Weight355.37 g/mol
Exact Mass355.09
IUPAC Name[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CC2CCCC(C1)N2c1nnc(C(F)F)o1
InChIInChI=1S/C14H15F2N5O2S/c15-11(16)12-18-19-14(23-12)21-8-2-1-3-9(21)6-20(5-8)13(22)10-4-17-7-24-10/h4,7-9,11H,1-3,5-6H2
InChIKeySJZBVRNVVYXQFC-UHFFFAOYSA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
CID 166186927
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(1,3-thiazol-5-yl)methanone
CID 122544408
piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
[(1S,4R,8S,9S)-9,11-dimethyl-3,11-diazatricyclo[6.2.1.04,9]undecan-3-yl]-(1,3-thiazol-5-yl)methanone
CID 110141748
(4-hydroxy-1,2-oxazolidin-2-yl)-(1,3-thiazol-5-yl)methanone
CID 130522349
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
2-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]propanethioamide
CID 114031108
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(1,3-thiazol-5-yl)methanone
CID 103860774
(6S)-N-methyl-1-methylsulfonyl-4-(1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125005490

Frequently Asked Questions

What is the IUPAC name of [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone (CID 167759481) is [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC2CCCC(C1)N2c1nnc(C(F)F)o1.
What is the InChIKey of [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is SJZBVRNVVYXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2S/c15-11(16)12-18-19-14(23-12)21-8-2-1-3-9(21)6-20(5-8)13(22)10-4-17-7-24-10/h4,7-9,11H,1-3,5-6H2.
What are the key properties of [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone?
[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 167759481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).