[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone

C14H15BrN4OS — CID 139028781

IUPAC[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C2CCC1CC(n1cc(Br)cn1)C2
InChIInChI=1S/C14H15BrN4OS/c15-9-5-17-18(6-9)12-3-10-1-2-11(4-12)19(10)14(20)13-7-21-8-16-13/h5-8,10-12H,1-4H2
InChIKeyFLEVDTFLGBXDAT-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.11
Rot. Bonds2

About [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone

[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 139028781) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID139028781
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C2CCC1CC(n1cc(Br)cn1)C2
InChIInChI=1S/C14H15BrN4OS/c15-9-5-17-18(6-9)12-3-10-1-2-11(4-12)19(10)14(20)13-7-21-8-16-13/h5-8,10-12H,1-4H2
InChIKeyFLEVDTFLGBXDAT-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[8-(1,3-thiazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615352
1-[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-cyclopentylsulfanylethanone
CID 139027111
[3-(4-chloropyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiophen-2-yl)methanone
CID 139028758
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
4-(4-bromopyrazol-1-yl)cyclohexane-1-carbohydrazide
CID 142544413
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 126901183
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154883958
1-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]pent-4-en-1-one
CID 154831146

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone (CID 139028781) is [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1C2CCC1CC(n1cc(Br)cn1)C2.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FLEVDTFLGBXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c15-9-5-17-18(6-9)12-3-10-1-2-11(4-12)19(10)14(20)13-7-21-8-16-13/h5-8,10-12H,1-4H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone?
[3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 367.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 139028781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).